CURRICULUM VITAE

Dong-Qing Wei

 

Updated Sept. 2018

 

State Key Laboratory of Microbial Metabolism and

College of Life Sciences and Biotechnology

Shanghai Jiaotong University

800 Dongchuan Road, Minhang District

Shanghai, 200240, China

Tel., 86-13918500529

E-mail:dqwei@sjtu.edu.cn; https://scholar.google.com/citations?user=1rLPRzIAAAAJ&hl=zh-CN

 

Education and Degrees

1987 – 1990 Post-doctorial Fellow, Department of Chemistry, University of British Columbia, Vancouver, B.C., Canada, with Gren Patey.

1985 – 1987 Ph.D., Chemical Physics Program at the Department of Physics, University of Puerto Rico, Rio Piedras, Puerto Rico, USA, thesis supervisor: Lesser Blum.

1982 – 1985 M.S., Department of Chemistry, Normal University of Henan, Xinxiang, Henan, People's Republic of China,.

1978 – 1982 B.S., Department of Chemistry, Normal University of Henan, Xinxiang, Henan, People's Republic of China,

 

Academic and Research Positions:

 

2006 - PresentDistinguished Professor at the State Key Laboratory of Microbial Metabolism& Department of Bioinformatics and Biostatistics, College of Life Science and Biotechnology, Shanghai Jiaotong University, Shanghai, China; an externalmember at Centre For Research in Molecular Modeling(CERMM), Concordia University in Montreal, Canada; and Henan Distinguished Professor at Henan University of Technology.

 

2003 - 2006Haihe Distinguished Professor,  appointed by the City of Tianjin at Tianjin Normal University, Director General, Tianjin Institute of Bioinformatics and Drug Discoveries, Principal Scientist, Gordon Life Science Institute, San Diego, USA, and an external member at Centre For Research in Molecular Modeling(CERMM),  Concordia University in Montreal, Canada.

 

1993 - 2003Research Scientist, Centre de Recherche en Calcul Applique(CERCA, Research Center on Computation and its Application) , Montreal, Quebec

 

1999 - 2000Professor of Chemistry , College of Chemistry and Molecular Engineering, Peking University, Beijing, P.R. China

 

1990 - 1992Research Associate, Department of Chemistry, University of British Columbia, Vancouver, B.C., Canada,  with Gren. Patey

 

1985 - 1985Assistant Professor, Department of Chemistry, Normal University of Henan, Xinxiang, Henan, People's Republic of China

 

Publications

Publication Performance Metrics 9 September 2018 by Google Scholar

 

Citation indices

All

Since 2013

Citations

7413

2868

h-index

49

28

I10-index

139

98

 

 

 List of Publications (total SCI citations: 5489 times, original papers:4942, review and others:547) as of Sept. 15 2018

 

Original papers published in SCI cited journals (total citation 4942 times)

 

The 15 most significant contributions(cited 1408 times).

 

1. Cited 49 times -Jing Chang, Peng Lian, Dong-Qing Wei*, Xiang-Rong Chen, Zizheng Gong and Qingming Zhang, “Thermal decomposition of the solid phase of nitromethane: Ab initio molecular dynamics simulations”, Phys. Rev. Lett. 105, 188302 -188305(2010).

2. Cited 32 times - Jue Li, Dong-Qing Wei*, Jing-Fang Wang*, and Yi-Xue Li, “A Negative Cooperativity Mechanism of Human CYP2E1 Inferred from Molecular Dynamics Simulations and Free Energy Calculations”, J. Chem. Info. Model., 51 (12),  3217–3225(2011).

3. Cited 28 times -Yukun  Wang, Tangzheng  Zhao, Dong-Qing  Wei*, Erik  Strandberg, Anne  Ulrich, Jakob Ulmschneider*, How reliable are molecular dynamics simulations of membrane active antimicrobial peptides?, BBA Biomembranes1838(9), 22802288(2014).

4. Cited 27 times -Ruo-Xu Gu, Limin Angela Liu*, and Dong-Qing Wei*, “Free Energy Calculations on the Two Drug Binding Sites in the M2 Proton Channel”, J. Am. Chem. Soc., 133 (28), 10817–10825(2011).

5. Cited 22 times - Ruo-Xu Gu, Limin A. Liu, Yong-Hua Wang*, Qin Xu, Dong-Qing Wei*,Structural comparison of the wild type and drug resistant mutants of the influenza M2 proton channel by molecular dynamics simulations”,J. Phys. Chem. B., 117 (20),   60426051(2013).

6. Cited 14 times - Maoping Tang, Zhaoxia Wang, Ying Zhou, Wangjie Xu, Shengtian Li, Lianyun Wang, Dong-Qing Wei*, Zhongdong Qiao*, “A novel drug candidate for Alzheimer disease treatment - gx-50 derived from Zanthoxylum Bungeanum”, J. Alzheimer’s Disease, 34, 203–213 (2013).

7. Cited 13 time - Yukun Wang, Dan Hu* and Dong-Qing Wei*, “Transmembrane Permeation Mechanism of Charged Methyl Guanidine”, J. Chem. Theory Comput., 10 (4), 1717–1726(2014).

8. Cited 1 time - Hui-Yuan Zhang, Qin Xu, Yu-Kun Wang, Tang-Zhen Zhao, Dan Hu, Dong-Qing Wei, “The Passive Transmembrane Permeation Mechanisms of Monovalent Ions Explored by Molecular Dynamics Simulations”. J. Chem. Theory and Comput. 12,4959-4969(2016).

9. Cited 317 times - K. C. Chou, Dong-Qing Wei, and W.Z. Zhong, “Binding Mechanism of Coronavirus Main Proteinase With Ligands and its Implication to Drug Design Against SARS”, Biochemical and Biophysical Research Communications, 308, 148(2003).

10. Cited 250 times - Dong-Qing Wei and G.N. Patey, “Orientational Order in Simple Dipolar Liquids: Computer Simulation of a Ferroelectric Nematic Phase”, Phys. Rev. Letter, 68, 2043,(1992).

11. Cited 145 times - Dong-Qing Wei and G.N. Patey, “Ferroelectric Liquid Crystal and Solid Phases Formed by Strongly Interacting Dipolar Spheres”, Phys. Rev., A,  46, 7783, (1992).

12. Cited 143 times - Dong-Qing Wei and D.R. Salahub, “Hydrated Proton Clusters and Solvent Effects on the Proton Transfer Barrier: a Density Functional Study”, J. Chem. Phys., 101, 7633(1994).

13. Cited 138 times - Suzanne Sirois, Dong-Qing Wei, Qishi Du, Kuo-Chen Chou, “Virtual Screening for SARS-CoV Protease Based on KZ7088 Pharmacophore Points”,  J. Chem. Inf. Model.,  44, 1111, 2004.

14. Cited 119 times - Jing-Fang Wang, Dong-Qing Wei*, Lin Li, Si-Yuan Zheng, Yi-Xue Li, Kuo-Chen Chou, “3D structure modeling of cytochrome P450 2C19 and its implication for personalized drug design”, Biochemical and Biophysical Research Communications, 355, 513–519 (2007).

15. Cited 110 times - Dong-Qing Wei, D.R. Salahub, “Hydrated Proton Clusters: Ab Initio Molecular Dynamics and Simulated Annealing”, J. Chem. Phys.,  106, 6086(1997).   

 

 Other papers listed according to number of citations (cited 3534 times)

16. Cited 112 times -Jing-Fang Wang, Dong-Qing Wei*, Chao Chen, Yixue Li, Kuo-Chen Chou, “Molecular Modeling of Two CYP2C19 SNPs and Its Implications for Personalized Drug Design”, Protein and Peptide Letters. 15, 27 -32(2008).

17. Cited 111 times -Dong-Qing Wei, Qi-Shi Du, Hao Sun, Kuo-Chen Chou, “Insights from modeling the 3D structure of H5N1 influenza virus neuraminidase and its binding interactions with ligands”, Biochemical and Biophysical Research Communications, 344, 1048 (2006).

18.  Cited 96 times -L. Blum and Dong-Qing Wei, “Analytical Solution of the Mean Spherical Approximation for an arbitrary Mixture of Ions and a Dipolar solvent”, J. Chem. Phys. 87, 555 (1987).

19. Cited 89 times -Qishi Du, Shuqing Wang, Dong-Qing Wei, Suzanne Sirois, and Kuo-Chen Chou, “Molecular modeling and chemical modification for finding peptide inhibitor against severe acute respiratory syndrome coronavirus main proteinase”, Analytical Biochemistry. 337, 262 -270(2005).

20. Cited 87 times -R.C. Dunbar, T.B., McMahon, D. Tholmann, D.S. Tonner, D.R. Salahub and Dong-Qing Wei, “Zero-pressure Thermal Radiation Induced Dissociation of Gas-phase Cluster Ions: Comparison of Theory and Experiment for (H2O)2Cl- and (H2O)3Cl- ”, J. Am. Chem. Soc. 117, 12819 (1995).

21. Cited 86 times -Dong-Qing Wei and D.R. Salahub, “A Combined Density Functional and Molecular Dynamics Simulation of a Water Molecule in Aqueous Solution”, Chem. Phys Letter. 224, 291(1994).

22. Cited 85 times -Jing-Fang Wang, Dong-Qing Wei*, Yi-Xue Li*, and K.C. Chou, “Molecular dynamics studies on the interactions of PTP1B with inhibitors: from the first phosphate-binding site to the second one”, PEDS. 22, 349-355(2009).

23. Cited 83 times -Dong-Qing Wei and G.N. Patey, “Dynamics of Molecular Liquids: a Comparison of Different Theories with Application to Wave Vector Dependent Dielectric Relaxation and Ion Solvation”, J. Chem. Phys. 93, 1399(1990).

24. Cited 72 times -Dong-Qing Wei and G.N. Patey, “Orientational Order in Simple Dipolar Liquids: Density Functional Theory and Absolute Stability Conditions”, Phys. Rev. E. 47, 506(1993).

25. Cited 70 times -Radu Iftimie, Dennis Salahub, Dong-Qing Wei, Jeremy Schofield,  “Using a Classical Potential as an Efficient Importance Function for Sampling From an Ab Initio Potential”, J. Chem. Phys. 113, 4852(2000).

26. Cited 68 times -Rui Zhang, Dong-Qing Wei*, Qishi Du and K.C. Chou, “Molecular Modeling Studies of Peptide Drug Candidates Against SARS”, Medicinal Chemistry. 2, 309 -314(2006).

27. Cited 67 times -Jing-Fang Wang, Dong-Qing Wei*, Ying Lin, Yong-Hua Wang, Hong-Li Du, Yi-Xue Li, Kuo-Chen Chou, “Insights from modeling the 3D structure of NAD(P)H-dependent D-xylose reductase of Pichia stipitis and its binding interactions with NAD and NADP”, Biochemical and Biophysical Research Communications. 359, 323 -329 (2007).

28. Cited 63 times -Hong Liu, Jijun Zhao, Dong-Qing Wei, Zizheng Gong, “Structural and Vibrational Properties of Solid Nitromethane under High Pressure by Density Functional Theory”, J. Chem. Phys. 124, 124501(2006).

29. Cited 62 times -Suzanne Sirois, Dong-Qing Wei, Kuo-Chen Chou and Qishi Du, “Assessment of chemical libraries for their druggability”, Computational Biology & Chemistry. 29, 55 -67(2005).

30. Cited 60 times -Yun Li, Dong-Qing Wei*, Wei-Na Gao, Hui Gao, Bing-Ni Liu, Wei-Ren Xu, Deng-Ke Liu, Haifeng Chen and K.C. Chou, “Computational approach to drug design for oxazolidinones as antibacterial agents”, Medicinal Chem. 3, 576 -582(2007).

31. Cited 59 times -Jing-Fang Wang, Dong-Qing Wei*, Kuo-Chen Chou, “Insights from investigating the interactions of adamantane-based drugs with the M2 proton channel from the H1N1 swine virus”, Biochem. Biophys. Res. Commun. 388, 413 -417(2009).

32. Cited 58 times -Dong-Qing Wei and G. Patey, “Rotational Motion in Molecular Liquids”, J. Chem. Phys. 91, 7113 (1989).

33. Cited 56 times -Weina Gao, Dong-Qing Wei*, Yun Li, Hui Gao, WeiRen Xu, Aixiu Li, Kuo-Chen Chou, “Agaritine and its Derivatives and Their Potential as Inhibitors of The HIV Proteases”, Medicinal Chem. 3, 221 -226(2007).

34. Cited 55 times -Dong-Qing Wei, S. Sirois, Qi-Shi Du, H.R. Arias, Kuo-Chen Chou, “Theoretical studies of Alzheimer disease drug candidate 3-[(2,4-dimethoxy) benzylidene]-anabaseine (GTS-21) and its derivatives”, Biochemical and Biophysical Research Communications. 338, 1059 (2005).

35. Cited 55 times -Lin Li, Dong-Qing Wei*, Jing-fang Wang, Kuo-Chen Chou, “Computational studies of the binding mechanism of calmodulin with chrysin”, Biochemical and Biophysical Research Communications. 358, 1102 -1107 (2007).

36. Cited 54 times -P. Attard, Dong-Qing Wei and G.N. Patey, “Critical Comments on The Nonlocal Dielectric Function Employed in Recent Theories of the Hydration Force”, Chem. Phys. Lett. 172, 69 (1990).

37. Cited 53 times -Dong-Qing Wei and L. Blum, “The mean spherical approximation for an arbitrary mixture of ions in a dipolar solvent: Approximate solution, pair correlation functions, and thermodynamics”, J. Chem. Phys. 87, 2999 (1987).

38. Cited 52 times -Dong-Qing Wei, J.F. Trochun, Suzanne Sirois and D.R. Salahub, “Solvation of Formic Acid and Proton Transfer in Hydrated Clusters”, J. Chem. Phys. 116, 6028(2002).

39. Cited 51 times -Dong-Qing Wei, Rui Zhang, Qi-Shi Du, Weina Gao, Yun Li, Hui Gao, Shu-Qing Wang, Xin Zhang, Ai-Xiu Li, Suzanne Sirois, and Kuo-Chen Chou“Anti-SARS Drug Screening by Molecular Docking”, Amino Acids. 31, 73-80(2006).

40. Cited 50 times -Huiqin Zheng, Dong-Qing Wei*, Rui Zhang, Chunfang Wang, Huachun Wei and Kuo-Chen Chou, “Screening for New Agonists Against Alzheimer's Disease”, Medicinal Chem. 3, 488 -493 (2007).

41. Cited 49 times -Chandra, Dong-Qing Wei and G.N. Patey, “Microscopic theory of solvation dynamics in dipolar liquids”, J. Chem. Phys. 99, 4926(1993).

42. Cited 49 times -Du, Q.S., Wang, S.Q., Zhu, Y., Dong-Qing Wei, Guo, H., Sirois, S., Chou, K.C, “Polyprotein cleavage mechanism of SARS CoV M-pro and chemical modification of the octapeptide”, Peptides. 25, 1857 -1864 (2004).

43. Cited 48 times -Qishi Du, Shuqing Wang, Zhiqin Jiang, Weina Gao, Yun Li, Dong-Qing Wei, and Kuo-Chen Chou, “Application of bioinformatics in search for cleavable peptides of SARS-CoV M (pro) and chemical modification of octapeptides”, Medicinal Chemistry. 1209(2005).

44. Cited 46 times -Chandra, Dong-Qing Wei and G.N. Patey, “The Frequency Dependent Conductivity of Electrolyte Solutions”, J. Chem. Phys. 99, 2083(1993).

45. Cited 45 times -Chandra, Dong-QingWei and G.N. Patey, “Dielectric Relaxation of Electrolyte Solutions: Is There Really a Kinetic Dielectric Decrement”, J. Chem. Phys. 98, 4959(1993).

46. Cited 43 times -K. Gong, L. Li, J. -F. Wang, F. Cheng, Dong-QingWei* and K. -C. Chou, “Binding Mechanism of H5N1 Influenza Virus Neuraminidase with Ligands and its Implication for Drug Design”, Medicinal Chemistry. 5, 242-249(2009).

47. Cited 43 times -Dong-Qing Wei, E. I. Proynov, A. Milet, and D. R. Salahub, “Solvation of the hydroxide anion: A combined DFT and molecular dynamics study”, J. Phys. Chem. A. 104, 2384(2000).

48. Cited 42 times -Ni-Na Ge, Yong-Kai Wei, Guang-Fu Ji*, Xiang-Rong Chen*, Feng Zhao, and Dong-Qing Wei*, “Initial Decomposition of the Condensed-phase b-HMX under Shock Waves: Molecular Dynamics Simulations”, J. Phys. Chem. B. 116 (46), 13696 -13704(2012).

49. Cited 42 times -Ying Wang, Dong-Qing Wei*, and Jing-Fang Wang*, “Molecular Dynamics Studies on T1 Lipase: Insight into a Double-Flap Mechanism”, J. Chem. Inf. Model. 50, 875 (2010).

50. Cited 41 times -Huachun Wei, Rui Zhang, Chunfang Wang, Huiqin Zheng, Kuo-Chen Chou, and Dong-Qing Wei*, “ Molecular Insights of SAH Enzyme Catalysis and Implication for Inhibitor Design”, J. Theo. Biol. 244, 692-702(2007).

51. Cited 40 times -Y. Xiong, Juan Liu*Dong-Qing Wei*”An Accurate Feature-based Method For Identifying DNA-binding Rsidues on Protein Surfaces”Proteins: Structure, Function, and Genetics. 79, 509 -517(2011).

52. Cited 41 times -J.-F. Wang, J.-Y. Yan, Dong-Qing  Wei* and K.-C. Chou, “Binding of CYP2C9 with Diverse Drugs and its Implications for Metabolic Mechanism”, Medicinal Chemistry. 5,  263-270(2009).

53. Cited 40 times -Shuqing Wang, Kang Zhao, Qishi Du, Aixiu Li, Dong-Qing Wei, Kuo-Chen Zhou, “Virtual screening for finding natural inhibitor against cathepsin-L for SARS therapy”, Amino Acids. 33, 129 -135 (2007).

54. Cited 39 times -R. -X. Gu, H. Gu, Z.-Y. Xie, J.-F. Wang, H.R. Arias, Dong-Qing Wei* and K. Ch. Chou, “Possible Drug Candidates for Alzheimer’s Disease Deduced from Studying their Binding Interactions with α7 Nicotinic Acetylcholine Receptor”, Medicinal Chemistry. 5, 250 -262(2009).

55. Cited 38 times -Hong Liu, J.J. Zhao, J.G. Du, Z.Z. Gong, G.F.  Ji, Dong-Qing Wei,  “High-pressure behavior of TATB crystal by density functional theory”, Physics Letters A. 367, 383 -388 (2007).

56. Cited 37 times -Peng Lian, Dong-Qing Wei*, Jing-Fang Wang*, Kuo-Chen Chou,  “An Allosteric Mechanism Inferred from MolecularDynamics Simulations on Phospholamban Pentamer in Lipid Membranes”, PLoS ONE.  6,  e18587(2011).

57. Cited 36 times -Hong-Ling Cui, Guang-Fu Ji*, Xiang-Rong Chen, Wei-Hua Zhu, Feng Zhao, Ya Wen and Dong-Qing Wei, “First-principles study of high-pressure behavior of solid beta-HMX”, J. Phys. Chem. A. 114 (2), 1082 -1092(2010).

58. Cited 35 times -Yi-Ru Gan, He Huang, Yong-Dong Huang, Chun-Ming Rao, Yang Zhao, Jin-Sheng Liu, Lei Wu and Dong-Qing Wei,  “Synthesis and Activity of an Octapeptide Inhibitor Designed for SARS Coronavirus Main Proteinase”, Peptides. 27, 622(2006).

59. Cited 33 times -Dong-Qing Wei and G.N. Patey, “Dielectric Relaxation of Electrolyte Solution”, J. Chem. Phys. 94, 6795 (1991).

60. Cited 31 times -Qishi Du, Dong-Qing Wei, Kuo-Chen Chou“Correlations of Amino Acids in Proteins”, Peptides. 24, 1863(2003).

61. Cited 31 times -H. R. Arias, Ruo-Xu Gu, Dominik Feuerbach, Bao-Bao Guo, Yong Ye, and Dong-Qing Wei*, “Novel Positive Allosteric Modulators of the Human α7 Nicotinic Acetylcholine Receptor”, Biochemistry. 50, 5263 -5278(2011).

62. Cited 30 times -Qi-Kai Zeng, Hong-Li Du, Jing-Fang Wang, Dong-Qing Wei*, Xiao-Ning Wang, Yi-Xue Li, Ying Lin*, “Reversal of coenzyme specificity and improvement of catalytic efficiency of Pichia Stipitisxylose reductase by the rational site-directed mutagenesis”, Biotechnology Lett.  31, 1025 -1029(2009).

63. Cited 26 times -P. Attard, Dong-Qing Wei, G.N. Patey and G.M. Torrie, “The Interaction Between Macroparticles in Molecular Fluids”, J. Chem. Phys. 93, 7360 (1990).

64. Cited 26 times -Dong-Qing Wei, Hong Guo and D.R. Salahub, “Conformational dynamics of an alanine dipeptide analog: An ab initio molecular dynamics study”, Phys. Rev. E. 64, 011907(2001).

65. Cited 25 times -Shigao Chen, Ruoxu Gu* and Dong-Qing Wei*, “Virtual Screening with Respect to alpha7 Nicotinic Acetylcholine Receptor for Possible Leads against Alzheimer's disease”, Journal of Molecular Graphics and Modeling. 39, 98 -107(2013).

66. Cited 24 times -Khan, Faez Iqbal, Dong-Qing Wei, Gu KR, Hassan MI, Tabrez S. "Current updates on computer aided protein modeling and designing", International journal of biological macromolecules. 85, 48 -62(2016).

67. Cited 24 times -Lai-Yu Lu, Dong-Qing Wei*, Dan Lian, Xiangrong Chen, Guangfu Ji, Qingming Zhang, Zhizheng Gong, “The First-Principle DFT Studies of Structural and Vibrational Properties of Solid β-HMX Under Compression”, Mol. Phys. 106, 2569 -2580(2008).

68. Cited 24 times -Xiao-Li Yuan, Dong-Qing Wei*, Xiang-Rong Chen*, Qing-Ming Zhang, Zi-Zheng Gong, “The first-principles calculations for the elastic properties of Zr2Al under compression”, Journal of Alloys and Compounds. 509, 769 -774 (2011).

69. Cited 23 times -Dong-Qing Wei, G.M. Torrie and G.N. Patey, “Molecular Solvent Model For an Electrical Double Layer: Effect of Ionic Polarizability”, J. Chem. Phys. 99, 3990(1993).

70. Cited 23 times -Hong Liu, Jijun Zhao, Guangfu Ji, Dong-Qing Wei, Zizheng Gong, “Vibrational properties of molecule and crystal of TATB: A comparative density functional study”, Phys. Lett. A. 358, 63 -69(2006).

71. Cited 23 times -Xiao-Li Guo, Lin Li, Dong-Qing Wei*, Yi-Sheng Zhu*, Kuo-Chen Chou, “Cleavage mechanism of the H5N1 hemagglutinin by trypsin and furin”, Amino Acids. 35375 -382(2008).

72. Cited 22 times -P. Attard, Dong-Qing Wei and G.N. Patey, “On the Existence of Exact Conditions in the Theory of Electrical Double Layers”, J. Chem. Phys. 96, 3767(1992).

73. Cited 22 times -G. Ayton, Dong-QingWei and G.N. Patey, “Liquid Crystal Phases of Dipolar Discotic Particles”, Phys. Rev. 55, 447(1997).

74. Cited 22 times -Chandra, Dong-Qing Wei and G.N. Patey, “Dielectric Relaxation of Dipolar Liquids”, J. Chem. Phys. 99, 2068(1993).

75. Cited 21 times -Hugo R. Arias*, Ruo-Xu Gu, Dominik Feuerbach and Dong-Qing Wei, “Different interaction between the agonist JN403 and the competitive antagonist methyllycaconitine with the human alpha7 nicotinic acetylcholine receptor”, Biochemistry. 49, 4169 -4180(2010).

76. Cited 21 times -Hong-Ling Cui, Guang-Fu Ji, Xiang-Rong Chenand Dong-Qing Wei, "Phase Transitions and Mechanical Properties of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine in Different Crystal Phases by Molecular Dynamics Simulation ",  J. Chem. Eng. Data. 55, 3121 -3129 (2010).

77. Cited 20 times -Xiao-Li Yuan, Dong-Qing Wei*, Yan Cheng*, Guang-Fu Ji, Qing-Ming Zhang, Zi-Zheng Gong, “Pressure effects on elastic and thermodynamic properties intermetallic compound of Zr3Al”, Computational Materials Science. 58, 125 -130(2012).

78. Cited 20 times -Dong-Qing Wei and L. Blum, “Nonprimitive model of electrolytes: Analytical solution of the mean spherical approximation for an arbitrary mixture of sticky ions and dipoles”, J. Chem. Phys. 89, 1091 (1988).

79. Cited 18 times -Tao Zhang, Limin Liu*, David Lewis and  Dong-Qing Wei*,  "Long-Range Effects of a Surface Mutation on the Enzymatic Activity of Cytochrome P450 1A2", J. Chem. Inf. Model. 51, 1336 -1346(2011).

80. Cited 17 times -Jing Zi, Duan Liu, Pingping Ma, He Huang, Juanli Zhu, Dong-Qing Wei, Jin Yang, Chao Chen, “Effects of CYP2C9*3 and CYP2C9*13 on Diclofenac Metabolism and Inhibition-based Drug-Drug Interactions”, Drug Metabolism and Pharmacokinetics. 25(4), 343 -350(2010).

81. Cited 16 times -Hong Liu, Jijun Zhao, Guangfu Ji, Zizheng Gong, Dong-Qing Wei, “Compressibility of liquid nitromethane in the high-pressure regime”, Physica B. 382, 334 -339 (2006).

82. Cited 15 times -Nina Ge, Yong-Kai Wei, Zhen-Fei Song, Xiang-Rong Chen*, Guang-Fu Ji*, Feng. Zhao, Dong-Qing Wei*, “Anisotropic Responses and Initial Decomposition of the Condensed-Phase b-HMX under Shock Loadings via Molecular Dynamics Simulations in Conjunction with Multi-scale Shock Technique”, J. Phys Chem B. 118(29), 8691 -9(2014).

83. Cited 15 times -Lian, Peng; Guo, Hao-bo; Riccardi, Demian; Dong, Aiping; Parks, Jerry; Xu, Qin; Pai, Emil; Miller, Susan; Wei, Dong-Qing; Smith, Jeremy*; Guo, Hong*, "X-ray Structure of a Hg2+ Complex of Mercuric Reductase (MerA) and QM/MM Study of Hg2+ Transfer between the C-terminal and Buried Catalytic Site Cysteine Pairs", Biochemistry. 53(46), 7211 -7222(2014).

84. Cited 15 times -Dong-Qing Wei and G.N. Patey, “Dielectric Relaxation of Liquid Mixtures”, J. Chem. Phys. 94, 6785 (1991).

85. Cited 15 times -Dong-Qing Wei, G.N. Patey and G.M. Torrie, “Double Layer Structure at an Ion-adsorbing Surface”, J. Phys. Chem. 94, 4260 (1990).

86. Cited 14 times -Huai-Meng FanRuo-Xu GuYun-Long PiYan-Jing Wang,Yonghong ZhangQin Xu*, Dong-Qing Huang Wei*, “The Destabilization of Alzheimer's Aβ42 Protofibrils with a Novel Drug Candidate WGX-50 by Molecular Dynamics Simulations”, J. Phys. Chem. B. 119 (34), 11196 -202(2015).

87. Cited 13 times -Shouxin Cui, Dong-Qing Wei*, Haiquan Hu, Wenxia Feng, Zizheng Gong, “First-principles study of the structural and elastic properties of Cr2AlX (X=N, C) compounds”, Journal of Solid State Chemistry. 191,147 -152(2012).

88. Cited 14 times -Peng Lian, Limin Angela Liu, Yongxiang Shi*, Yuxiang Bu*, Dong-Qing Wei*, “Tethered-hopping model for protein-DNA binding and unbinding based on Sox2-Oct1-Hoxb1 ternary complex simulations”, Biophys J. 98, 1285 -93(2010).

89. Cited 13 times -Hui Gu, Haifeng Chen, Dong-Qing, Wei*, Jing-Fang Wang*, “Molecular dynamics simulations exploring drug resistances in HIV-1 proteases”, Chinese Science Bull. 55, 2677 -2683(2010).

90. Cited 13 times -Dong-Qing Wei and L. Blum, “Internal energy in the mean spherical approximation as compared to Debye-Huckel theory”, J. Phys. Chem. 91, 4342 (1987).

91. Cited 12 times -J.F, Wang, C.C Zhang, Dong-Qing Wei*, Yixue Li*, “Docking and molecular dynamics studies on CYP2D6”, Chinese Science Bull. 55, 40 -44(2010).

92. Cited 12 times -Jue Li, Dong-Qing Wei*, Jing-Fang Wang*, Zheng-Tian Yu and Kuo-Chen Chou, “Molecular Dynamics Simulations of CYP2E1”, Medicinal Chemistry. 8(2), 208 -221(2012).

93. Cited 13 times -Qian Xu, Yi Xiong, Hao Dai, Kotni Meena Kumari, Qin Xu, Hong-Yu Ou, Dong-Qing Wei, “ PDC-SGB: Prediction of Effective Drug Combinations Using a Stochastic Gradient Boosting Algorithm”, Journal of Theoretical Biology 01/2017;, DOI:10.1016/j.jtbi.2017.01.019

94. Cited 11 times  -Suzanne Sirois, G.M. Tsoukas, K.C. Chou, Dong-Qing Wei, C. Boucher, & G.E. Hatzakis, “Selection of molecular descriptors with artificial intelligence for the understanding of HIV-1 protease peptidomimetic inhibitors-activity”, Medicinal Chemistry. 1, 173(2005).

95. Cited 10 times - Dong-Qing Wei and G.N. Patey, “Dynamical Properties of a Ferroelectric Nematic Liquid Crystal”, Phys. Rev. E. 47, 2954(1993).

96. Cited 10 times  -Tao Zhang, Dong-Qing Wei*, Kuo-Chen Chou, “A Pharmacophore Model Specific to Active Site of CYP1A2 with a Novel Molecular Modeling Explorer and CoMFA”, Medicinal Chemistry. 8(2), 198 -207(2012).

97. Cited 9 times -C.P. Ursenbach, Dong-Qing Wei and G.N. Patey, “Activity Coefficient of Model Aqueous Electrolyte Solutions: Sensitivity to the Short Range Part of the Inter-ionic Potential”, J. Chem. Phys. 94, 6785 (1991).

98. Cited 9 times -Liwei Deng, Jijun Zhao, Zizheng Gong, Dong-Qing Wei,  “First-Principles Study of Orthorhombic Perovskites MgSiO3 up to 120 GPa and Its Geophysical Implications”, Chinese Phys. Lett. 23, 2334(2006).

99. Cited 9 times -Jing Chang, Xiang-Rong Chen, Dong-Qing Wei, and Xiao-Li Yuan, “Elastic constants and anisotropy of beta-BC2N under pressure”, Physica B. 405, 3751 -3755(2010).

100. Cited 9 times -Tao Zhang, Hao Dai, Limin Angela Liu, David F. V. Lewis, Dong-Qing Wei*, “Classification models for predicting cytochrome P450 enzyme-substrate selectivity”, Mol. Inf. 31, 53 -62(2012).

101. Cited 8 times -Peng Lian, Jue Li, Dongqi Wang* and Dong-Qing Wei*, “Car-Parrinello Molecular Dynamics/Molecular Mechanics (CPMD/MM) Simulation study of coupling and uncoupling mechanisms of Cytochrome P450cam”, J. Phys. Chem. B. 117, 7849 -7856(2013).

102. Cited 8 times -Shouxin Cui, Dong-Qing Wei*, Haiquan Hu, and Zizheng Gong, "Mechanical instability and ideal strengths of layered M2SC (M=Ti, Zr, and Hf) compounds", J. Appl. Phys. 113, 083516 (2013).

103. Cited 8 times -Hong-Ling Cui, Guang-Fu Ji, Ji-Jun Zhao, Feng Zhao, Xiang-Rong Chen, Qing-Ming Zhang and Dong-Qing Wei, “Ab initio and molecular dynamics studies of solid -HMX: effects of hydrostatic pressure and high temperature”, Mol. Simulation. 36, 670 -681 (2010).

104. Cited 8 times - Meena Kumari Kotni, Mingzhu Zhao*, Dong-Qing Wei,“Gene expression profiles and protein-protein interaction networks in amyotrophic lateral sclerosis patients with C9orf72 mutation”, Orphanet Journal of Rare Diseases 11/2016;, DOI:10.1186/s13023-016-0531-y.

105. Cited 8 times -Yanli Zhang, Guangfu Ji, Feng Zhao, Zizheng Gong, Dong-Qing Wei, Litao Chen, Wenzhong Li, “Mesoscopic simulation of aggregate behaviour of fluoropolymers in the TATB-based PBX”, Mol. Simulation. 37, 237 -242(2011).  

106. Cited 7 times -Mingzhu Zhao, Qiang Zhou, Wanghao Ma and Dong-Qing Wei*, “Exploring the Ligand-Protein Networks in Traditional Chinese Medicine: Databases, Methods and Applications”, Evidence-Based Complementary and Alternative Medicine. 2013, 15(2013).

107. Cited 7 times -YK Wei, NN Ge, GF Ji*, XR Chen, LC Cai, SQ Zhou, Dong-Qing Wei*, “Elastic, superconducting, and thermodynamic properties of the cubic metallic phase of AlH 3 via first-principles calculations”, J. App. Phys. 114 (11), 114905 -114910(2013).

108. Cited 7 times -Qi Chen, John K. Buolamwini, Jeremy C. Smith, Aixiu Li, Qin Xu, Xiaolin Cheng*, and Dong-Qing Wei*, Impact of Resistance Mutations on Inhibitor Binding to HIV-1 Integrase”J. Chem. Inf. Model. 53 (12), 3297 -3307(2013).

109. Cited 6 times -Ying Wang, Xiao-Lin Wu*, Dong-Qing Wei*, Jing-Fang Wang*, Yi-Xue Li, “Auto-inhibitory Mechanism for Mutation-Induced Impaired FGF Signaling”, J. Chem. Inf. Model. 52(9), 2422 -9(2012).

110. Cited 6 times -Yuanyuan Yu, Xin Liu, Jianwei He, Mengyuan Zhang, Hui Li, Dong-Qing Wei & Youtao Song, “Appendant structure plays an important role in amyloidogenic cystatin dimerization prior to domain swapping”, Journal of Biomolecular Structure and Dynamics. 30, 102 -112(2012).

111. Cited 6 times -Zhi-Yuan Xie, Tao Zhang, Jing-Fang Wang*, Kuo-Chen Chou, Dong-Qing Wei*, “The computational model to predict accurately inhibitory activity for inhibitors towards CYP3A4”, Computers in Biology and Medicine. 40, 845 -852(2010).

112. Cited 6 times -Dong-Qing Wei, “Field Induced Phase Transition of Simple Dipolar Fluids”, Phys. Rev. E. 49, 2454 -2457(1994).

113. Cited 6 times -Hui-Min Lv, Xiao-Li Guo*, Ruo-Xu Gu, Dong-Qing Wei*, “Free Energy Calculations and Binding Analysis of two Potential Anti-Influenza Drugs with Polymerase Basic Protein-2 (PB2)”, Protein and Peptide Letters. 18, 1002 -1009(2011).

114. Cited 6 times -Jing-Fang Wang, Dong-Qing Wei*, Chun-Fang WangYong Ye*, Yi-Xue Li, Yong Luo, Wen-wu Wang, Lun-Zu Liu and Yi-fen Zhao,  “Theoretical Study on the Mechanism 2:1 1,3 Dipolar Cycloaddition Reactions”, J. Theor. Comp. Chem. 6, 861 -867(2007).

115. Cited 6 times -Li-Na Ma, Zhen-Zhen Du, Peng Lian, Dong-Qing Wei*, “A theoretical study on the mechanism of a superficial mutation inhibiting the enzymatic activity of CYP1A2”, Interdisciplinary Sciences Computational Life Sciences. 6, 25 -31(2014).

116. Cited 6 times -Yifan Sun, Yi Xiong*, Qian Xu, Dong-Qing Wei*, “A hadoop-based method to predict potential effective drug combination”, BioMed Research International. 2014(1), 196858(2014).

117. Cited 6 times -FI Khan, M. Aamir, Dong-Qing Wei, F. Ahmad, MI Hassan, “Molecular mechanism of ras-related protein Rab-5A and effect of mutations in the catalytically active phosphate-binding loop”, Journal of Biomolecular Structure & Dynamics;, DOI:10.1080/07391102.2015.1134346. ISSN 0739-1102. 

118. Cited 7 times -Yi-Qing Wei, De-Xi Bi, Dong-Qing Wei*, Hong-Yu Ou*, “Prediction of Type II Toxin-Antitoxin Loci in Klebsiella pneumoniae Genome Sequences”, Interdisciplinary Sciences Computational Life Sciences. 8(2), 143-149 (2016).

119. Cited 5 times -J.J Zhu, T.C Bai, Y.B. Cheng, Z.R. Chang, Dong-Qing Wei, G. Stell, Y. Lu, “Solvent Dynamics-Effect in Condensed Phase Electron-Transfer Reactions", J. Phys. Chem. B. 112, 3735 -3745(2008).

120. Cited 5 times -Yong Ye, Yong Luo, Chun-Fang Wang, Dong-Qing Wei, Lun-Zu Liu, Yu-Fen Zhao, “Cycloaddition Reaction of Phosphonyl Nitrile Oxides to Phosphaacetylene and Alkene”, Heteroatom Chemistry. 20, 95-100(2009).

121. Cited 5 times -Bei Tang, Ke Gong, Jing-Fang Wang, Dong-Qing, Wei*, “Structure and molecular dynamics simulation of phospholamban”, Chinese Science Bull, 55, No.16:1619 -1624(2010).

122. Cited 5 times -Dong-Qing Wei*, Ying-Jie Wang, Lu Wang, Zi-Zheng Gong, Yong-Xin Guo, Yi-Sheng Zhu, “Molecular Dynamics Simulations of Dipolar Fluids in the Orientationally Ordered Phases”, Phys. Rev. E. 75, 061702 -7 (2007).

123. Cited 5 times -Xiao-Dong Wang, Jia-Liang Huang, Lun Yang, Dong-Qing Wei, Ying-Xin Qi, Zong-Lai Jiang*, “Identification of Human Disease Genes from Interactome Network Using Graphlet Interaction”, PLOS One. 9, e86142(2014).

124. Cited 4 times -Li Li, Dong-Qing Wei *, Jing-Fang Wang*, “SCYPPred: A web-server for predicting human cytochrome P450 SNPs”, Protein and Peptide Letters.19, 57 -61(2012).

125. Cited 4 time -Shouxin Cui, Dong-Qing Wei*, Qingming Zhang, Zizheng Gong, Haiquan Hu, “Newly found phase transition and mechanical stability of AuAl2: A first-principles study”, Journal of Alloys and Compounds.  574, 486 -489(2013).

126. Cited 4 times -Yuan-Yuan Qi,  Tian Zhang, Yan Cheng,  Xiang-Rong Chen*, Dong-Qing Wei and Ling-Cang Cai,“Lattice Dynamics and Thermal Conductivity of Calcium Fluoride Via First-Principles Investigation”, J. Appl. Phys. 119(9), 095103(2016).

127. Cited 4 times -Hong-Ling Cui, Xiang-Rong Chen, Guang-Fu Ji, Dong-Qing Wei, “Structures and phase transition of GaAs under pressure”. Chin. Phys. Lett. 25(6), 2169 -2172(2008).

128. Cited 4 times -Hai-Feng Chen*, Mao-Ying Wu, Zhuo Wang and Dong-Qing Wei, “Insight into the Metabolism Rate of Quinone Analogues from Molecular Dynamics Simulation and 3D-QSMR Methods”, Chemical Biology & Drug Design. 70, 290  -301(2007).

129. Cited 4 times -Liang Zhang, Guang-Fu Ji*, Feng Zhao, Chuan-Min Meng, Dong-Qing Wei*,“The first-principle studies of the crystal phase transitions: Fd3m-MgAl2O4→F4-3m-MgAl2O4”, Physica B. 406, 335 -338(2011).

130. Cited 4 times -Yanli Zhang, Guangfu Ji, Zizheng Gong* and Dong-Qing Wei*, “New Coupling Mechanism of the Silane Coupling Agents in the TATB-based PBX”, Mol. Simulation. 39, 423 -427(2013).

131. Cited 4 times -Kai Xu, Dong-Qing Wei*, Xiang-Rong Chen* and Guang-Fu Ji, “Thermal decomposition of solid phase nitromethane under various heating rates and target temperatures based on ab initio molecular dynamics simulations”, J. Mol. Model. 20(10), 2438(2014).

132. Cited 3 times -Peng Lian, Hao-Bo Guo, Jeremy C. Smith, Dong-Qing Wei* and Hong Guo*, “Catalytic Mechanism and Origin of High Activity of Cellulase TmCel12A at High Temperature: A Quantum Mechanical/Molecular Mechanical Study”, Cellulose. 21, 1(2014).

133. Cited 3 times -Cheng-Dong Li, Qin Xu, Ruo-Xu Gu*, Jing Qu, Dong-Qing Wei*, “The Dynamic Binding of Cholesterol to the Multiple Sites of C99: Revealed by Coarse-Grained and All-Atom Simulations”, Physical Chemistry Chemical Physics 01/2017;, DOI:10.1039/C6CP07873G.

134. Cited 3 times -Wencheng Li, Bo Yang, Yonghua Wang, Dong-Qing Wei, Chris Whiteley, Xiaoning Wang, “Molecular modeling of substrate selectivity of Candida antarctica lipase B and Candida rugosa lipase towards c9, t11- and t10, c12-conjugated linoleic acid”, Journal of Molecular Catalysis B: Enzymatic. 57, 299 -303(2009).

135. Cited 3 times -Dong-Qing Wei, "Orientational Order in Polar Liquids, Effect of Quadrupole Moment", Mol. Crystals and Liq. Crystals. 269, 89(1995).

136. Cited 3 times -Hong Liu, Dong-Qing Wei, Jijun Zhao and Zhizheng Gong, “Molecular Dynamic Study of Liquid Nitromethane under High-Pressure”, Chinese Journal of High Pressure Physics. 18, 319(2004).

137. Cited 3 times -Lai-Yu Lu, Dong-Qing Wei, Xiang-Rong Chen, Guang-Fu Ji. “First-principles calculations of structures and electronic properties of solid pentaerythritol under pressure”. Chin. Phys. Lett. 25(9), 3368 -3371(2008).

138. Cited 3 times -Jing He, Dong-Qing Wei*, Jing-Fang Wang* and Kuo-Chen Chou, “Predicting Protein-Ligand Binding Sites Based on an Improved Geometric Algorithm”, Protein and Peptide Letters. 18, 997 -1001(2011).

139. Cited 3 time-Qishi Du and Dong-Qing Wei, “Solvation and Polarization of the N-Methyl Amine Molecule in Aqueous Solution: A Combined Study of Quantum Mechanics and Integral Equation Theory in Three Dimensions”, J. Phys. Chem. B. 107, 13463 -13470(2003).

140. Cited 3 times -Mingzhu Zhao, Qiang Zhou, Tao Zeng, Zhi-Ping Liu*, Luonan Chen* and Dong-Qing Wei*, “ Predicting Protein-Ligand Interactions Based on Chemical Preference Features with its Application to New D-Amino Acid Oxidase Inhibitor Discovery”, Current Pharm. Design. 20(32), 5202 -5211(2014).

141. Cited 3 times -Yu Yao, Tao Zhang, Yi Xiong, Li Li, Juan Huo and Dong-Qing Wei*, “Mutation Probability of Cytochrome P450 Based on Genetic Algorithm and Support Vector Machine”, Biotechnology Journal. 6, 1(2011).

142. Cited 3 times -Jun-Hui Gao, Li Li, Xiaolin Wu and Dong-Qing Wei, “BioNetSim: a Petri Net-based modeling tool for Simulations of Biochemical Processes”, Protein and Cell. 3, 225 -229(2012).

143. Cited 3 times -S.Q. Wang, H. Liu, QS Du and Dong-Qing Wei,  “Prediction of Protein Structural Classes Based on Correlations of Amino Acid Residues”, Acta Physico-Chimica Sinica. 20, 498(2004).

144. Cited 3 time -Yuan Zhao, Jue Li, Hui Gu, Dong-Qing Wei, Yao-chang Xu, Wei Fu* and Zhengtian Yu*, “Conformational preferences of π-π stacking between ligand and protein, analysis derived from Crystal Structure Data”, Interdisciplinary sciences, computational life sciences. 7(3), 211-20(2015).

145. Cited 3 time -Jiaonan Yuan, Guangfu Ji, Xiangrong Chen, Dong-Qing Wei, Feng Zhao, Qiang Wu, “Phase transition, thermodynamics properties and IR spectrum of α- And γ-RDX: First principles and MD studies”, Chem. Phys. Lett.  644, 250 -2542016

146. Cited 3 time -Faez Iqbal Khan, Bilal Nizami, Razique Anwer, Ke-Ren Gu, Krishna Bisetty, Imtaiyaz Hassan, Dong -Qing Wei, “Structure prediction and functional analyses of a thermostable lipase obtained from Shewanella putrefaciens”, Journal of Biomolecular Structure & Dynamics 07/2016;,  DOI:10.1080/07391102.2016.1206837.

147. Cited 2 times -Juan Huo, Allan Murray and Dong-Qing Wei, “Adaptive Visual and Auditory Map Alignment in Barn Owl Superior Colliculus and its Neuromorphic Implementation”, IEEE Transactions on Neural Networks and Learning Systems. 23(9), 1486(2012).

148. Cited 2 times - Qishi Du, Dong-Qing Wei and Aixiu Li, “Quantum Chemical Description for Molecular Lipophilicity and Hydrophilicity:  I. Molecular Lipophilic and Hydrophilic Surface”, Chemical Journal of Chinese Universities. 25, 1706(2004).

149. Cited 2 times -Dong-Qing Wei and L. Blum, “Solvation Thermodynamic Functions in Mean Spherical Approximation: Behavior Near the Solvent Critical Region”, J. Chem. Phys.  102, 4217(1995).

150. Cited 2 time -Yong Kai Wei, Ni Na Ge, Guang Fu Ji*, Xiang Rong Chen*, Ling Cang Cai, Dong-Qing Wei, “Pressure induced metallization of SiH4(H2)2 via first-principles calculations”, Computational Materials Science. 88, 116 -123(2014).

151. Cited 2 times -Dong-Qing Wei*, Lin Gao, Jiao Zhang, Li-Wei Yan, Jin-He Hu, Lang Chen, Zi-Zheng Gong, Yong-Xin Guo, Yu Han,  “Role of dipole elongation in orientationally ordered liquids”, Phys. Rev. E. 83, 061703-061707 (2011).

152. Cited 2 time -Hao Dai, Qin Xu*, Yi Xiong*, Weilin Liu and Dong-Qing Wei*, “Improved Prediction of Michaelis Constants in CYP450-Mediated Reactions by Using Resilient Back Propagation Algorithm”, Current Drug Metbolism. 16,181(2016).

153. Cited 2 time -Li Li, Yi Xiong, Qin Xu, Zhuo-Yu Zhang, Quan Guo, Qin, Xu, Yong-Hong Zhang and Dong-Qing, Wei, “Improved feature-based prediction of SNPs in human cytochrome P450 enzymes”, Interdisciplinary Sciences Computational Life Sciences. 7(1), 65 -77(2015).

154. Cited 2 times -Yong-Kai Wei, Jiao-Nan Yuan, Faez Iqbal Khan, Guang-Fu Ji*, Zhuo-Wei Gu, Dong-Qing Wei*, “Pressure induced superconductivity and electronic structure properties of scandium hydrides using first principles calculations”, RSC Advances 07/2016;,  DOI:10.1039/C6RA11862C.

155. Cited 2 times -Shuang Hou, Ruo-Xu Gu* and Dongqing Wei*, “Inhibition of β-amyloid Channels with a Drug Candidate wgx-50 Revealed by Molecular Dynamics Simulations”, Journal of Chemical Information and Modeling 12/2017;, DOI: 10.1021/acs.jcim.7b00452.

156. Cited 1 time -Yufang Wang, Qiang Zhou, Hao Dai, Tao Zhang*, Dong-Qing Wei*, “Prediction of the functional consequences of single amino-acid substitution in human cytochrome P450”, Mol. Simulation. 38, Nos. 14 -15, 1297 -1307(2012).

157. Cited 1 time -Yan Bai, Dong Wang, Zhen-Xi Yu, Yong Jia, Feng-Yun Zhu, Dong-Qing Wei, Wei-Zhu Zhong, and Kuo-Chen Chou, “Ecdysterone Determination of Niuxi by Near-Infrared Diffuse Reflection Spectroscopy”, Spectroscopy. 21(5), 2006.

158. Cited 1 time -Xiaoli Guo, Yisheng Zhu, Ping Shi, Haokui Zhou, Jinsong Yao, Shanbao Tong, Bingcheng Lin, Zhende Huang, Yihong Qiu, Qiushi Ren, Suzanne Sirois, Kuo-Chen Chou, Yixue Li, Dong-Qing Wei,“Genetic insight of the H5N1 hemagglutinin cleavage site”, Chinese Sci. Bul. 52, 2374 -2379(2007).

159. Cited 1 time -Tao Zhang, Qiang Zhou, Yu-Shu Pang, Yu-Fang Wang, Chao-Hui Jin, Juan Huo, Li-Min A Liu, Dong-Qing Wei*, “CYP-nsSNP: A specialized database focused on effect of non-synonymous SNPs on function of CYPs”, Interdisciplinary Sciences: Computational Life Sciences. 4 (2), 83 -89(2012).

160. Cited 1 time -HL Cui, XR Chen*, GF Ji*, Dong-Qing Wei, “The Mesoscopic Structure of β-HMX-Based PBXs by Dissipative Particle Dynamics Simulation”, Advanced Materials Research. 4430 -4434(2012).

161. Cited 1 time -Chao Zhou, Juan Liang, Shang-Li Cheng, Ting Shi, K.M. Houk, Dong-Qing Wei and Yi-Lei Zhao*, “Ab initio molecular metadynamics simulation for S-nitrosylation by nitric oxide: S-nitroxide as the key intermediate”, Molecular Simulation May 2017;, DOI:10.1080/08927022.2017.1319059.

162. Cited 1 time -Qi Chen, Xiaolin Cheng*, Dong-Qing Wei and Qin Xu*, “Molecular Dynamics Simulation Studies of the Wild Type and E92Q/N155H Mutant of Elvitegravir-resistance HIV-1 Integrase”, Interdisciplinary Sciences: Computational Life Sciences. 7(1), 36 -42(2015).

163. Cited 1 times -Haifeng Yang, Xiao-Nan Zhang, Yan Li, Yong-Hong Zhang*, Qin Xu* and Dong-Qing Wei, “Theoretical Studies of Intracellular Concentration of Micro-organisms’ Metabolites”, Scientific Reports 12/2017;, DOI: 10.1038/s41598-017-08793-2.

164. Pei Fan, Qiao-Hui Lin, Ying Guo, Lan-Ling Zhao, He Ning, Meng-Ying Liu, Dong-Qing Wei*,“The PPI network analysis of mRNA expression profile of uterus from primary dysmenorrheal rats”Scientific Reports 12/2018; 8(1)., DOI:10.1038/s41598-017-18748-2.

165. Aman C. Kaushik, Sanjay Kumar, Dong-Qing Wei*, “Structure Based Virtual Screening Studies to Identify Novel Potential Compounds for GPR142 and Their Relative Dynamic Analysis for Study of Type 2 Diabetes”, Frontiers in Chemistry 02/2018; 6., DOI: 10.3389/fchem.2018.00023.

166. Aman Chandra Kaushik, Shiv Bharadwaj, Sanjay Kumar, Dong-Qing Wei: Nano-particle mediated inhibition of Parkinson’s disease using computational biology approach. Scientific Reports 12/2018; 8(1)., DOI:10.1038/s41598-018-27580-1.

167. Fenglei Yang*, Sijung Hu*, Baomin Li, Vincent M. Dwyer, Harnani Hassan, Dong-Qing Wei& Ping Shi,“A Study of the Dynamic Relation between Physiological Changes and Spontaneous Expressions”, Scientific Reports 7/2017;, DOI: 10.1038/s41598-017-07122-x.

168. X. Cai, F. Li, H. Lei, S. Qu, C. Qian, D. Xiang, D. -Q. Wei, W. Wu, Q. Xu, X. Wang: p. R180C mutation of glycosyltransferase B leads to B subgroup, an in vitro and in silico study. Vox Sanguinis 05/2018; 113(5)., DOI:10.1111/vox.12655.

169. Gurudeeban Selvaraj, Satyavani Kaliamurthi, Aman Chandra Kaushik, Abbas Khan, Yong Kai Wei, William C Cho, Keren Gu, Dong-Qing Wei, “Identification of target gene and prognostic evaluation for lung adenocarcinoma using gene expression meta-analysis, network analysis and neural network algorithms”. Journal of Biomedical Informatics 09/2018;, DOI: 10.1016/j.jbi.2018.09.004.

170. Arif Ali, Muhammad Junaid, Abbas Khan, Aman Chandra Kasushik, Aamir Memood, Shoaib Saleem, Dong-Qing Wei, “Identification of Novel Therapeutic Targets in Myelodysplastic Syndrome Using Protein-Protein Interaction Approach and Neural Networks”. Journal of Computer Science & Systems Biology 04/2018; 11(2)., DOI:10.4172/jcsb.1000270

171. Abbas Khan, Muhammad Junaid, Aman Chandra Kasushik, Arif Ali, Syed shujait Ali, Dong-Qing Wei: Computational identification, characterization and validation of potential antigenic peptide vaccines from hrHPVs E6 proteins using immunoinformatics and computational systems biology approaches. PLoS ONE 04/2018; 13(5)., DOI:10.1371/journal.pone.0196484

172. Abbas Khan, Arif Ali, Muhammad Junaid, Chang Liu, Aman Chandra Kaushik, William C. S. Cho, Dong-Qing Wei: Identification of novel drug targets for diamond-blackfan anemia based on RPS19 gene mutation using protein-protein interaction network. BMC Systems Biology 04/2018; 12(S4)., DOI:10.1186/s12918-018-0563-0

173. Abbas Khan, Shoaib Saleem, Muhammad Idrees, Muhammad Junaid, Aman Chandra Kasushik, Syed shujait Ali, Dong-Qing Wei: Allosteric ligands for the pharmacologically important Flavivirus target (NS5) from ZINC database based on pharmacophoric points, free energy calculations and dynamics correlation. Journal of Molecular Graphics and Modelling 04/2018; 82., DOI:10.1016/j.jmgm.2018.03.004.

174. Ling Liu, Yi Xiong, Hongyun Gao, Dong-Qing Wei, Julie C Mitchell, Xiaolei Zhu: dbAMEPNI: a database of alanine mutagenic effects for protein-nucleic acid interactions. Database 04/2018; 2018., DOI:10.1093/database/bay034.

175. Hai-chao Ren, Jiaonan Yuan, Wei-Sen Xu, Tu-Nan Chen, Guang-Fu Ji, Dong-Qing Wei, “Two Dimensional Infrared Spectra of Cationic Dopamine Under Different Electric Fields: Theoretical Studies from the Density Function Theory Anharmonic Potential”, The Journal of Physical Chemistry C 07/2018;, DOI:10.1021/acs.jpcc.8b05607.

176. Xiu-Qing Zhang, Xiang-Rong Chen, Satyavani Kaliamurthi, Gurudeeban Selvaraj, Guang-Fu Ji, Dong-Qing Wei: Initial Decomposition of the Co-Crystal of CL-20/TNT: Sensitivity Decrease under Shock Loading. The Journal of Physical Chemistry C 09/2018;, DOI:10.1021/acs.jpcc.8b06953

177. Xiu-Qing Zhang, Jiao Nan Yuan, Gurudeeban Selvaraj, Guangfu Ji, Xiang-Rong Chen, Dong-Qing Wei, “Toward low-sensitive and high-energetic cocrystal explosive CL-20/TNT: from intermolecular interactions to structures and properties”, Physical Chemistry Chemical Physics 05/2018; 20(25). DOI:10.1039/C8CP01841C.

178. Shaoliang Peng*, Xiaoyu Zhang, Yutong Lu, Xiangke Liao, Kai Lu, Canqun Yang, Jie Liu, Weiliang Zhu, Dong-Qing Wei, “High-scalable Collaborated Parallel Framework for Large-scale Molecular Dynamic Simulation on Tianhe-2 Supercomputer”. IEEE/ACM Transactions on Computational Biology and Bioinformatics 02/2018;, DOI:10.1109/TCBB.2018.2805709

179. Li-Yue Bai, Hao Dai, Qin Xu, Muhammad Junaid, Shao-Liang Peng, Xiaolei Zhu, Yi Xiong*, Dong-Qing Wei*,“Prediction of Effective Drug Combinations by an Improved Naïve Bayesian Algorithm”,International Journal of Molecular Sciences. 19(2), 467(2018).

180. Yong-Kai Wei, Xiao-Miao Zhao, Meng-Meng Li, Jing-Xin Yu, Selvaraj Gurudeeban, Yan-Fei Hu, Guang-Fu Ji, Dong-Qing Wei*“Detoxification of aflatoxins on prospective approach: effect on structural, mechanical, and optical properties under pressures”,  Interdisciplinary Sciences Computational Life Sciences 12/2017;, DOI:10.1007/s12539-017-0278-8.

181. Hui-Yuan Zhang, Qin Xu, Yi Xiong, Shao-Liang Peng, Kotni Meena Kumari, Dong-Qing Wei”, “Membrane defect and water leakage caused by passive calcium permeation”, Journal of Molecular Liquids   19(2), 467(2018).

182. Yanzhi Bai, Zhenhai Yu, Ran Liu, Nana Li, Shuai Yan, Ke Yang, Bingbing Liu, Dongqing Wei*& Lin Wang*, “Pressure-Induced Crystallizationand Phase Transformation of Paraxylene”, Scientific Reports. 7, 5321(2017).

183. Jiao-Nan Yuan, Yong-Kai Wei, Xiu-Qing Zhang, Xiang-Rong Chen*, Guang-Fu Ji*, Meena Kumari Kotni and Dong-Qing Wei, “Shock response of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX): The C-N bond scission studied by molecular dynamics simulations”, Journal of Applied Physics. 122(13), 135901(2017).

184. Weizhong Tu, Shaozhen Ding, Ling Wu, Zhe Deng, Hui Zhu, Xiaotong Xu, Chen Lin, Chaonan Ye, Minlu Han, Mengna Zhao, Juan Liu, Zixin Deng, Junni Chen, Dong-Qing Wei and Qian-Nan Hu*, “SynBioEcoli: a comprehensive metabolism network of engineered E. coli in three dimensional visualization , Quantitative Biology 2017;, DOI:10.1007/s40484-017-0098-1.

185. Yan-Zhi Bai, Nana Li, Cuiying Pei, Zhipeng Yan, Wentao Li and Dong-Qing Wei, “High-pressure transformations of ortho-xylene probed by combined infrared and Raman spectroscopies”,  Solid State Communications 269, October 2017, DOI: 10.1016/j.ssc.2017.09.022.

186.  Xiaoli Pan, Daixi Li and Dong-Qing Wei, “Structural Stability of Insulin in Imidazolium Ionic Liquids by Molecular Simulation”, CIESC, Journal.  67(12), 5215 -5221(2016).

187.  Xiaoli Pan, Daixi Li*, Dong-Qing Wei, “Bioactive structural stability of insulin in hydrated ionic liquids, CIESC, Journal. 68(5), 2035 -2041(2017). 

188.  Faez Iqbal Khan, Krishna Bisetty, Ke-Ren Gu, Suren Singh, Kugen Permaul, Md. Imtaiyaz Hassan, Dong-Qing Wei, “Molecular dynamics simulation of chitinase I from Thermomyces lanuginosus SSBP to ensure optimal activity”, Molecular Simulation 09/2016;, DOI: 10.1080/08927022.2016.1237024.

189. Ke-feng Song, Guang-Fu Ji*, Kotni Meena Kumari and Dong-Qing Wei*, “Blending effect between n-decane and toluene in oxidation: a ReaxFF study”, Molecular Simulation June 2017;, DOI: 10.1080/08927022.2017.1334882

190. F.I. Khan, K. Bisetty, Dong-Qing Wei, M.I. Hassan, “A pH based Molecular Dynamics simulations of chitinase II isolated from Thermomyces lanuginosus SSBP”, Cogent Biology, DOI: 10.1080/23312025.2016.1168336, ISSN: 2331-2025.

191. Kai Xu, Dong-Qing Wei*, Zi-Yun Wei, Peng Lian, Lin Huang, Xiang-Rong Chen*, Lang Chen, Guang-Fu Ji, “Extraordinary mechanical properties of monatomic C3N2”, Mol. Simul. 41(4), 256 -261(2014).

192. Yu-Kun Wang, Dong-Qing Wei*, Ruo-Xu Gu, Huai-Meng Fan and Jacob Ulmschneider, “Rare Event Dynamics and Its Applications on the Free Energy Calculations for Membrane Protein Systems”, Can. J. Chem. 91, 769 -774(2013).

193. Pinliang Zhang, Zizheng Gong*, Guangfu Ji, Song Liu, Dong-Qing Wei*, “The first-principles study of structure and properties of ω-Ti2Zr”, Comp. Mater. Sci. 74, 129 -137(2013).

194.  H. Cui, G Ji, X Chen, Dong-Qing Wei, “Mesoscopic Simulation of Aggregate Behaviour of Polymers in beta-HMX-based PBXs”, Chinese Journal of Chemical Physics. 26, 462(2013).

195. Kai Xu, Xiang-Rong *Chen, Dong-Qing Wei, Qing-Quan Gou, “Surface Corrugation in Rotational and Diffractive Scattering of O(2) from LiF (001)”, Communications in Theoretical Physics. 54(6), 1112 -1120(2010).

196. Lai-Yu Lu, Dong-Qing Wei*, Xiang-Rong Chen, Guang-Fu Ji, Xi-Jun Wang, Jing Chang, Qing-Ming Zhang, Zi-zheng Gong, “The Pressure Induced Phase Transition of The Solid β-HMX”, Mol. Phys. 107, 2373 -2385(2009).

197. Jing-Fang Wang, Dong-Qing Wei*, Hong-Li Du, Yi-Xue, Li, Kuo-Chen Chou, “NADP-Dependence of Candida Tropicalis Strain Ct1799 Xylose Reductase by Molecular Modeling Studies”, The Open Bioinformatics Journal. 2, 72 -79(2008).

198. Dan Lian, Lai-Yu Lu, Dong-Qing Wei*, Qingming Zhang, Zhizheng Gong, Yong-Xin Guo “High-Pressure Behaviour of-HMX Crystal Studied by DFT-LDA”, Chin. Phys. Lett. 25, 899 (2008).

199. Chun-Fang Wang, Hui-Qin Zheng, Hua-Chun Wei, Rui Zhang, Hai-Feng Chen and Dong-Qing Wei*, “Structure and vibrational frequencies of Ph3PCl2 with discrete solvent molecules and in gas phase”, J. Theor. Comp. Chem. 6, 511 -521(2007).

200. Qishi Du and Dong-Qing Wei, “Application of bridge functions in statistical mechanical integral equation theory 3d-RISM-HNC and improvement in the calculation of solvation free energy ”, Acta Chimica Sinica. 62, 120(2004).

201. T.J. Wei, G.Y. Feng and Dong-Qing Wei, “The Reversed-phase HPLC of Dispersing Agent NNO And Determination of Molecular Weight Distributions”, J. Dispersion Science and Technology. 9, 363 (1988).

202. Dong-Qing Wei and Jinsuo Lu, Jianjun Zhu and Xishun Zhou, “The studies on salt effect of the isothermal vapour-liquid equilibrium-organic solvent-water-inorganic”, Acta Physico-Chimica Sinica. 3, 520(1987).

203. Dong-Qing Wei, J.S. Lu and T.J. Wei, “The mean association number: Ultraviolet spectroscopic study of lead chloride (PbCl2)-water-ethanol”, Journal of Solution Chemistry. 15, 743 (1986).

 

Papers in press

204. Abbas Khan, Muhammad Junaid, Aman Chandra Kaushik, Arif Ali, Syed Shujait Ali, Aamir Mehmood, Dong-Qing Wei: Computational identification, characterization and validation of potential antigenic peptide vaccines from hrHPVs E6 proteins using immunoinformatics and computational systems biology approaches.

 

Editorials (cited 18times)

 

205. Cited 15 times -Jing-Fang Wang and Dong-Qing, Wei*, “Role of Structural Bioinformatics and traditional Chinese medicine databases in Pharmacogenomics”, Pharmacogenomics, 10, 1213 -1215(2009).

206. Cited 2 times -Dong-Qing Wei and Mingzhu Zhao, “New Drug Design Based on Multi-targets and System Biology Approach in Light of Real Time DNA Sequencing Technologies”, Current Topics in Medicinal Chemistry, 12, 14(2012).

207. Cited 1 time -Dong-Qing Wei and Qi Chen, “SNPs of Drug Metabolic Enzymes and Personalized Medicine Part II”, Current Drug Metabolism. 13, 7(2012).

208. Dong-Qing Wei and Qi Chen, “SNPs of Drug Metabolic Enzymes and Personalized Medicine Part I”, Current Drug Metabolism. 12, 411(2011).

 

Special Issues Edited (cited 3 times)  

 

209. Cited 2 times - Current Topics in Medicinal Chemistry, Volume 12, Number 12 [Hot topic: New Drug Design Based on Multi-targets and System Biology Approach in Light of Real Time DNA Sequencing Technologies (Guest Editor: Dong-Qing Wei)].

210. Cited 1 time- Current Drug Metabolism, Volume 13, Number 7, August 2012 [Hot Topic: SNPS of Drug Metabolic Enzymes and Personalized Medicine-Part II (Guest Editor: Dong-Qing Wei)].

211. Current Drug Metabolism, Volume 12, Number 5, June 2011 [Hot Topic: SNPS of Drug Metabolic Enzymes and Personalized Medicine-Part I (Guest Editor: Dong-Qing Wei)].

212. Miaomiao Zhao, YunpengCai, YanjieWei, FengfengZhou, Jiankui He, GuanyuWang, Dong-Qing Wei and CaiwanZhang, “Personalized Clinical Data Screening: Special Issue on Health Informatics”, Computers inBiology and Medicine. 61, 161 -162(2015).

 

Invited reviews (cited 469 times)

213. Cited 128 times -KC Chou, Dong-Qing WeiandQS, Du, “Progress in computational approach to drug development against SARS”, Current Medicinal Chemistry. 13, 3263 -3270(2006).

214. Cited 85 times -Jing-fang Wang, Dong-Qing Wei*, Kuo-chen Chou*, “Drug candidates from traditional chinese medicines”, Current Topics Med. Chem. 8, 1656 -1665(2008).

215. Cited 63 times -Jing-Fang Wang, Dong-Qing Wei*, Kuo-Chen Chou, “Pharmacogenomics and Personalized Use of Drugs”, Current Topics in Medicinal Chemistry. 8, 1573 -1579(2008).

216. Cited 46 times -Jing-Fang Wang, Cheng-Cheng Zhang, Jing-Yi Yan, Kuo-Chen Chou, Dong-Qing Wei*, “Structure of cytochrome P450s and personalized drug”, Current Medicinal Chem. 16, 232 -244(2009).

217. Cited 41 times -William Kem, Ferenc Soti, Susan LeFrancois, Kristin Wildeboer, Kelly MacDougall, Dong-Qing Wei, Kuo-Chen Chou and Hugo R. Arias, “The nemertine toxin anabaseine and its derivative DMXBA (GTS21): Chemical and pharmacological properties”, Marine Drugs. 4, 55 -273(2006).

218. Cited 38 times -Qi Chen, Tao Zhang, Jing-Fang Wang* and Dong-Qing Wei*Advances in Human Cytochrome P450 and Personalized Medicine”, Current Drug Metabolism. 12, 436 -444 (2011).

219. Cited 18 times -Ruo-Xu Gu, Limin Angela Liu*, Dong-Qing Wei*, “Structural and Energetic Analysis on Drug Inhibition of the Influenza A M2 Proton Channel”, Trends in Pharmacological Sciences. 34, 571(2013).

220. Cited 10 times -Jun Xu*, Qiong Gu, Haibo Liu, JiaJu Zhou, XianZhang Bu, ZhiShu Huang, Gui Lu, Ding Li, Dong-Qing Wei, Ling Wang & LianQuan Gu, “Chemomics and Drug Innovation”, Science China-Chemistry. 55, 1 -15(2012).

221. Cited 10 timesm-Tao Zhang, Qi Chen, Li Li, Limin Angela Liu* and Dong-Qing Wei*, “In silico prediction of Cytochrome P450-mediated drug metabolism”, Combinatorial Chemistry & High Throughput Screening. 14, 388 -395(2011).

222. Cited 8 times -Tao Zhang, Mingzhu Zhao, Yushu 5Pang, Wen Zhang, Limin Angela Liu*, Dong-Qing Wei*, “Recent Progress on Bioinformatics, Functional Genomics, and Metabolomics Research of Cytochrome P450 and Its Impact on Drug Discovery”, Current Topics in Medicinal Chemistry. 12, 1346 -1355(2012).

223. Cited 5 times -X. Guo, J.F. Wang, Y. Zhu, Dong-Qing Wei*, “Recent Progress on Computer-Aided Inhibitor Design of H5N1 Influenza A Virus”, Current Computer Aided Drug Des. 6(2), 139 -146(2010).

224. Cited 5 times -Ruo-Xu Gu, Yu-Qing Zhong and Dong-Qing Wei*, “Structural basis of agonist selectivity for different nAChR subtypes: insights from crystal structures, mutation experiments and molecular simulations”, Current Pharmaceutical Design, 17, 1652 -1662(2011).

225. Cited 5 times -Li Li, Qi Chen and Dong-Qing Wei, “Bioinformatics Tools for Discovery and Functional Analysis of Single Nucleotide Polymorphisms”, Current Drug Metabolism, 13,1012 -1023(2012).

226. Cited 3 times -Suzanne Sirois, Rui Zhang, Weina Gao, Hui Gao, Yun Li and Dong-Qing Wei*, “Discovery of Potent anti-SARS-CoV M-Pro inhibitors”, Current Computer Aided Drug Design. 3,341 -352(2007).

227. Cited 2 times -Ming-Zhu Zhao and Dong-Qing Wei*, “Rare Diseases: Drug Discovery and Informatics Resource”,  Interdisciplinary Sciences Computational Life Sciences. (2017): 1-10.

228. Cited 1 times -Qi Chen, Zhuo Wang*, Dong-Qing, Wei*, “Progress in the applications of flux analysis of metabolic networks”, Chinese Science Bull. 55(22), 2315 -2322(2010).

229. Cited 1 times -Yan-Jing Wang, Faez Iqbal Khan, Qin Xu, Dong-Qing Wei: Recent Studies of Mitochondrial SLC25: Integration of experimental and computational approaches. Current Protein and Peptide Science, 18,999 (2016): 1-1.

230. Gurudeeban Selvaraj, Satyavani Kaliamurthi, Shuhuang Lin, Keren Gu, Dong-Qing Wei, “Prognostic Impact of Tissue Inhibitor of Metalloproteinase-1 in Non-Small Cell Lung Cancer: Systematic Review and Meta-Analysis, Current Medicinal Chemistry 08/2018;, DOI:10.2174/0929867325666180904114455.

231. Junaid Muhammd, Abbas Khan, Arif Ali, Li Fang, Wang Yanjing, Qin Xu, Donqing Wei, “Network Pharmacology: Exploring the Resources and Methodologies”, Current Topics in Medicinal Chemistry 03/2018; 18., DOI:10.2174/1568026618666180330141351.

232. Hui-Yuan Zhang, Qin Xu*, Fang Li, Pei-Chuan Tian, Ying-Hao Wang, Yi Xiong, Yong-Hong Zhang and Dong-Qing Wei*, “Recent Progresses of Simulations on Passive Membrane Permeations in China”, Mol. Simulation, 42(10):1 -10(2016).

233. Rui Zhang, Dong-Qing Wei*, Hua-Chun Wei, Ling-Bo Qu, Ru-Lin Li, Chao Chen and Yi-Xue Li, “Progress of Pharmacogenomics and Individual Drug Design”, Progress in Pharmaceutical Sciences. 31, No. 6, 241 -246(2007).

 

Monographs (cited 2 times)

 

234. Cited 2 times-Dong-Qing Wei, Qin Xu, Tang-Zhen Zhao and Hao Dai, “Advance in Structural Bioinformatics”, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, ISBN: 978-94-017-9244-8 (Print) 978-94-017-9245-5 (Online), 2015.

235. Limin Angela Liu, Dong-Qing Wei and Yixue li, “Interdisciplinary Research and Applications in Bioinformatics, Computational Biology, and Environmental Sciences”, ISBN: 9781609600648, IGI Global, 2011.

236. Limin Angela Liu, Dong-Qing Wei, Yixue Li and Huimin Lei, “Handbook of Research on Computational and Systems Biology: Interdisciplinary Applications”, ISBN: 9781609604912, IGI Global, 2011.

237. Dong-Qing Wei, Yilong Ma, William C.S. Cho, Qin Xu, Fengfeng Zhou, “Translational Bioinformatics and Its Application”,  Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, ISBN: 9789402410433 (Print), 978-94-024-1045-7 (Online)2017, April 10, in the series of Translational Medicine Research edited by Chen Zhu et al.

238. Dong-Qing Wei, Hao Dai, Gui-Hua Jia, Yong-Hong Zhang and Qin Xu, “Computer Aided Drug Design”Shanghai Jiaotong University Press2012 ISBN978-7-313-16652-4/RPublishing Date 2017-03.

239. Dong-Qing Wei, Ruo-Xu Gu, Peng Lian, Tao Zhang and Ying Wang, “Molecular Simulation and Computer Aided Drug Design”Shanghai Jiaotong University Press2012 ISBN978-7-313-07980-0Publishing Date 2012-03-26.

240. Dong-Qing Wei one of the editors lead by Ming Chen, Bioinformatics, Scientific Press, 2012-01-01(ISBN9787030332059).

241. Rong-Xiu Li, Dong-Qing Wei and Yan Feng, “The Protein Structure Simulation and Design”, Chinese Chemical Industrial, 2011, ISBN9787122101839.

242.  Jianguo Du, Dong-Qing Wei, “Experimental and Theoretical Studies of Minerals and Rocks at High Temperature and Pressure”, Earth Quake Press, Beijing, 2011, ISBN9787502833149.

243. Dong-Qing Wei one of the editors lead by Xia Li, Bioinformatics, People’s Health Press, 2011, ISBN9787117129381

244. Zizheng Gong (Editor), Shaokai Luo, Dong-Qing, Wei, Yongxin Guo and Junyi Guo (Associate Editors), “The progress of Interdisciplinary Research For Mathematics, Mechanics, Physics and High New Technology”, Vol. 13, Scientific Publishing, Beijing, 2010, ISBN 9787030282620.

245. Dong-Qing Wei, Xijun Wang(editors), “Theory and Application of Computational Chemistry”, AIP Conference Proceedings Volume 1102, American Institute of Physics Press, 2009, ISBN: 9780735406377.

 

Book and proceeding chapters  (cited 55 times)

 

246. Cited 15 times -Huai-Meng Fan, Ruo-Xu Gu and Dong-Qing Wei, “The α7 nAChR Selective Agonists as Drug Candidates for Alzheimer's Disease”, Advance in Structural Bioinformatics, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, 2015, Page 353-65.

247. Cited 6 times -S.A. Decker, T.K. Woo, Dong-Qing Wei, and F. Zhang, “Ab initio molecular dynamics simulations of molecularcollisions of nitromethane”, Proceedings of the 12th International Detonation Symposium, August 2002, San Diego.

248. Cited 5 times -Li Li Dong-Qing Wei, “Bioinformatics tools for discovery and functional analysis of single nucleotide polymorphisms”, Advance in Structural Bioinformatics, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, 2015, Page 287-26.

249. Cited 4 times -Dong-QingWei, F. Zhang and T. K. Woo, “First-Principle Simulations of Energetic Molecular Liquids”, AIP Conference Proceedings, 620, 407-410(2002).

250. Cited 4 times -Kuo-Chen Chou, Dong-Qing Wei, Qi-Shi Du, Suzanne Sirois, Hong-Bin Shen and Wei-Zhu Zhong, “Study of Inhibitors Against SARS Coronavirus by Computational Approaches”, in Proteases in Biology and Disease, Springer Netherlands, 2009(ISBN 978-90-481-2347-6).

251. Cited 4 times -Ruo-Xu Gu, Limin Angela Liu and Dong-Qing Wei, “Drug inhibition and proton conduction mechanisms of the influenza a m2 proton channel”, Advance in Structural Bioinformatics, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, 2015, Page 205-26.

252. Cited 3 times -Qi Chen and Dong-Qing Wei, “Human cytochrome p450 and personalized medicine”, Advance in Structural Bioinformatics, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, 2015, Page 341-51.

253. Cited 2 times -Cheng-Cheng Zhang, Jing-Fang Wang, Jing-Yi Yan, Kuo-Chen Chou, Dong-Qing Wei*, “Molecular Modeling of CYP Proteins and Its Implication for Personal Drug Design”, in Automation in Genomics and Proteomics: An Engineering Case-Based Approach, Eds Gil Alterovitz, Roseann Benson, Marco RamoniJohn Wiley, 2009(ISBN: 978-0-470-72723-2)- MIT and Harvard interdisciplinary special studies courses.

254. Cited 2 times - Peng Lian and Dong-Qing Wei, “An Application of QM/MM Simulation: The Second Protonation of Cytochrome P450”, Advance in Structural Bioinformatics, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, 2015, 311-24.

255. Cited 2 times -Ming-Zhu Zhao and Dong-Qing Wei, “Exploring the ligand-protein networks in traditional chinese medicine: current databases, methods, and applications”, Advance in Structural Bioinformatics, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, 2015, Page 227-51.

256. Cited 2 times -Qin Xu, Hao Dai, Tang-Zhen Zhao, Dong-Qing Wei, “Introduction to structural bioinformatics”, Advance in Structural Bioinformatics, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, 2015, Page 1-7.

257. Cited 2 time -Tao Zhang, Dong-Qing Wei, “Recent progress on structural bioinformatics research of cytochrome P450 and its impact on drug discovery”, Advance in Structural Bioinformatics, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, 2015, Page 327-39.

258. Cited 1 time -D. Bratko, L. Blum and Dong-Qing Wei, "A Model of Ion Hydration", in Interactions of Water in Ionic and Nonionic Hydrates, Springer, Berlin, 27-31, 1987.  

259. Cited 1 time -J.J. Zhu, T.C. Bai and Dong-Qing Wei, “The Electron-Transfer Rate Processes in Biological Systems”, in Theory and Application of Computational Chemistry, AIP Conference Proceedings Volume 1102, American Institute of Physics Press, 2009.

260. Cited 1 time -X.J. Wang, C.Y. Dai, Y.L. Zhang and Dong-Qing Wei*, “Application of QM/MM methods in Theoretical Studies of Enzyme Catalysis”, in Theory and Application of Computational Chemistry, AIP Conference Proceedings Volume 1102, American Institute of Physics Press, 2009.

261. Cited 1 time - Yu-Kun Wang, Ruo-Xu Gu, Huai-Meng Fan, Jakob Ulmschneider, Dong-Qing Wei, “Applications of rare event dynamics on the free energy calculations for membrane protein systems”, Advance in Structural Bioinformatics, in Advances in Experimental Medicine and Biology, Vol. 827, Springer jointly published with Shanghai Jiaotong University Press, Shanghai, China, 2015, Page 71-82.

262. Aman Chandra Kaushik, Shiv Bharadwaj, Ajay Kumar, Avinash Dhar, Dongqing Wei, “New Trends in Artificial Intelligence: Applications of Particle Swarm Optimization in Biomedical Problems”, Intelligent System, 08/2018;, ISBN: 978-1-78923-606-4, DOI:10.5772/intechopen.73606

263. Yi Xiong, Xiaolei Zhu, Hao Dai, Dong-Qing Wei, “Survey of Computational Approaches for Prediction of DNA-Binding Residues on Protein Surfaces”, Computational Systems Biology, 03/2018: pages 223-234;, ISBN: 978-1-4939-7716-1, DOI:10.1007/978-1-4939-7717-8_13

264.  Huai-Meng Fan, Qin Xu and Dong-Qing Wei, “Recent Studies on Mechanisms of New Drug Candidates for Alzheimer’s Disease Interacting with Amyloid-β Protofibrils Using Molecular Dynamics Simulations”, DOI: 10.1007/978-94-024-1045-7_6,In book: Translational Bioinformatics and Its Application, pp.135-151.

265.  Dong-Qing Wei, Hao Dai and Yong-Hong Zhang, “Bioinformatics and Drug Discovery”, Inspiration of Frontier of Life Sciences, edited by Zhong-Dong Qiao and Lin He, The Scientific Press, 2016, ISBN 978-7-03-049733-8.

266. Liang Zhang, Guang-fu Ji, Jian-jin Tan and Dong-Qing Wei, “Progress on The Experimental and Theoretical Studies of MgAl2O4 at High Temperature and Pressure”, Experimental and Theoretical Studies of Minerals and Rocks at High Temperature and Pressure, eds, Jianguo Du et al, Earth Quake Press, Beijing, 2011.

267. Jing-Fang Wang and Dong-Qing Wei, “Protein Structure”, in Bioinformatics, People’s Health Press, 2010(ISBN9787117129381).

268. D.R. Salahub, Ana Martinez and Dong-Qing Wei, "Structure, Reactivity and Dynamics of Atomic and Molecular Clusters Using Density Functional Theory (DFT) and other Tools", in Theory of Molecular and Atomic Clusters: With a Look at Experiments (Cluster Physics), 157-180, Eds, J. Jellinek, Springer, 1998.

269. Dong-Qing Wei, “Recent Advances on the Molecular Theories of Electrolyte Solution: Equilibrium Structure, Thermodynamics and Dynamics”, note from the plenary lectures, The Problems of Solvation and Complex Formation in Solutions, Ivanovo, Russia, 1998.

270.  D.R. Berard, Dong-Qing Wei, and D.R. Salahub, "Towards a Density Functional Approach of Chemical Reactions in Complex Media", Proceeding of Pacific Symposium on Biocomputing, 1997, R.B. Altman, A.K. Dunker, L. Junter and T.E. Klein, World Scientific Publishing Co., Hawaii, 51-61, 1997.

271. Dong-QingWei, "Theory and Simulation of Strongly Interacting Dipolar Fluids: Ferroelectric Liquid Crystals, Ferro-fluids and Electrorheological Fluids", Proceeding of the First International Conference on Frontiers of Physics: Looking to the21st Century, 438-441, World Scientific, Singapore, 1997.

272. Dong-Qing Wei and D.R. Salahub, “DFT Ab Initio Molecular Dynamics and Combined DFT and Molecular Dynamics Simulations”, in Combined Quantum Mechanical and Molecular Mechanical Methods, Eds, J. Gao and Mark Thompson, John Wiley, 1998.

 

Papers in journals not cited by SCI

 

273. Jianping Lv, Dong-Qing Wei*, Yonghua Wang and Qin Xu, “ Thermal Stability of Lipase 5 Based on MD Simulations”, J. Atomic Mol. Phys. 32, 128-134(2016).

274. Junhui Gao, Zeren Guan, Zhao Liu, Yingfu Zhong and Dong-Qing Wei, “The Implementof AutoDockVina on the Super-Computer Taihu Light”, Harold of Scientific Innovation. 23, 89(2016).

275. Lin Huang, Xiao-Li Yuan, Shao-Xin Cui and Dong-Qing Wei*, “The Compression Behaviors of Zirconium From The First Principle Calculations”, J. Atomic Mol. Phys. 29(6), 1069 -1076(2012).

276. Xiao-Li Yuan, Dong-Qing Wei, Yan Cheng, Qing-Ming Zhang, Zi-Zheng Gong, “Thermodynamic properties of Zr2Al under high pressure from first-principles calculations”, J. At. Mol. Sci. 3, 160(2012).

277. Shuo Liu, Jing Chang, Dong-Qing Wei, Xiang-Rong Chen, Qing-Ming Zhang, Zi-Zheng Gong, Guang-Fu Ji, and Yong-Xin Guo “Properties and phase transitions of the solid β-HMX: different force fields” J. At. Mol. Sci. 3, 41 -48(2012).

278. Huiqin Zheng and Dong-Qing Wei, “Acetylcholinestemse Inhibitor Screening and Rational Design”, Journal of Henan Normal University. 39, 127 -130(2011).

279.  Liang Zhang, Guangfu Ji, Feng Zhao, Dong-Qing Wei, “The First Principle Studies of Pressure Induced Structure Change For SrZrO3 And ZnCr2O4”, Journal of Sichuan University (Natural Science Edition). 48, 142 -146(2011).

280. Huiqin Zheng, Dong-Qing Wei and Yun Li “Three Dimensional Quantitative Structure-Activity Relationship of Cyclohexene Neuraminidase Inhibitors”, Joutnal of Xinyang Normal University. 24, 331 -333, (2011).

281. H. Du, J. Wang, Y. Zeng, F. Ling, Dong-Qing Wei, Y. Lin and X. Wang, “Progress on the drug metabolism of CYP2C19”, Journal of Guangdong College of Pharmacy. 24, 532-535(2008).

282. H. Du, J. Wang, Y. Zeng, F. Ling, Dong-Qing Wei, Y. Lin and X. Wang, “Bioinformatic Analysis of Xylose Reductase for Site-Directed Mutagenesis”, Journal of South China University of Technology. 36, 122 -127(2008).

283.  H. Gao, Chunfang Wang, Gao WeinaLi YunWei Dong-Qing*,“Quantitatives Structure-Activity Relationship and Modification of HIV Protease Inhibitors”, J. Atomic Mol. Phys. 24, 675(2007).

284. Wei-Na Gao, Bing-Ni Liu, Xiao-Wen Ren, Wei-Ren Xu and Dong-Qing Wei*, “Theoretical modifications of agaritine based on HIV protease structures”, Chinese Herb Medicine. 38, 5(2007).

285. Yingjie WangDong-Qing Wei*, Lu WangZizheng GongYongxin Guo,“Theoretical Studies of Dipolar Fluids”, J. Atomic Mol. Phys. 24, 451(2007).

286. Lu Wang, Jijun Zhao Zhao*, Yingjie Wang, Zizheng Gong, Yongxin Guo, Dong-QingWei, “Structure, Electronic Properties, and Oxygen Adsorption of Al13 Cluster by First-Principles Calculations”, J. Atom. Mol. Phys. 24, 559(2007).

287. Chun-fang Wang, Jing-fang Wang, Lin Li and Dong-Qing Wei*,  “Examples of Applying Molecular Modelling on Chemitry and Biology Problems”, J. Atomic Mol. Phys. 26, No. 2, 316 -320(2007).

288. Hong Liu, Jijun Zhao, Zi-Zheng Gong Zheng Wei, Jianguo Du, Guangu Ji and Dong-Qing Wei,  “Crystal Structure of TATB Under High Pressure”, J. Atomic Mol. Phys. 26, No. 2, 291 -297(2007)

289. Huiqin Zheng, Yun Li, Zhiqin Jiang, Qishi Du, Dong-Qing Wei, “2D-QSAR Study of Carbocyclic Derivates Neuraminidase Inhibitors”, J. Tianjin Normal University. 26, 13 -16(2006).

290. Hui Gao, Weina Gao, Yun Li, Weiren Xu, Qishi Du, and Dong-Qing Wei, “Modeling Studies of Peptide Inhibitors For The HIV Protease”, J. Atomic Mol. Phys.  23, 6 -10(2006).

291. Weina Gao, Yun Li, Rui Zhang, Hui Gao, Weiren Xu, Dengke Liu, Aixiu Li, Qishi Du, Xin Zhang and Dong-Qing Wei, “HIV Inhibitor Screening Based on The Traditional Chinese Medicines Database”, Acta Pharmaceutica Sinica. 41(3), 241 -246(2006)(Figure was placed on the cover of the issue, and selected at the excellent papers of 2006).

292. Li Yun, Hang Chang-jiang, Gao Hui,Gao Wei-Na,Liu Deng-Ke,Xu Wei-Ren, Du Qi-shi, WeiDong-Qing “Synthesis of (R)-N-[3-[3-Fluoro-4-morpholinyl]phenyl]-2-oxo-5- oxazolidinyl] methanol”,  Journal of Tianjin Normal University. 25, 13 -15(2005).

293. Mei Dong, Xin Zhang, Aixiu Li and Dong-Qing Wei, “The Structure and Functions of the PEVK Poly-peptide Domain of Muscle Titin Protein”, Chemistry of Life. 25, 113(2004).

294. Du Qishi, Wang Shuqing, Wei Dong-Qing, Li Aixiu,“Study of Amino Acids Correlation in Proteins and Application in Structural Analysis”, Chemical Journal on Internet (CJI), 6, 40, 2004.

295.  Jijun Zhao, Hong Liu, Zi-Zheng Gong ad Dong-Qing Wei, “Ab Initio Studies of Organic Molecular Crystals”, Energetic Materials, 12, Additional Issue, 497(2004).

296. Zi-Zheng Gong, Zhang Xu-Dong, Han Gao, He Bi, Hong Liu, Dong-Qing Wei and Guo Yongxin, “New Progress in Metallic Hydrogen Research”, Energetic Materials. 12, Additional Issue, 669(2004).

297. Dong-Qing Wei and J.S. Lu, “Nonprimitive Statistical Mechanical Theory of Electrolyte in Mixed Solvents”, Fenzi Kexue Xuebao. 4, 63(1986).

298. Dong-Qing Wei and J.S. Lu, “The Application of Vapor-Liquid Equilibrium on The Salt Effect in Mixed Solvents”, J. Normal University Henan (Natural Science Etition). 2, 35 -38 (1986).

299. Dong-Qing Wei and J.S. Lu, "The Thermodynamics Behavious of The System of Salts in Mixed Solvent-The Critical Phenomena of System Acetone-Water-LiCl and System Acetone-Water-KCl”, J. Normal University Henan (Natural Science Edition). 2, 46 -59 (1985).

300. Dong-Qing Wei, “Markov Process of Formation of Cloud”, Henan Meteorology. 1, 1985.

 

301. Papers submitted to journals

 

302. Pan Tan, Zuyue Fu, Loukas Petridis, Shuo Qian, Dongqing WeiJinLai Li and Liang Hong*, “Determining accurate protein atomic structures by combining small angle scattering with molecular simulations based on a two-fold scheme for structural classification”, JACS.

303. Kai Xu, Dong-Qing Wei*, Xiang-Rong Chen* and Guang-Fu Ji, “Identifying the thickness of ultrathin MoS2 based on the bandgap evolution”, RSC Advances.

 

304. Abstracts

 

305.   Tangzhen  Zhao, Yukun Wang, Qin Xu and  Dong-Qing Wei,  “Molecular Dynamics Simulations of Calcium Binding Sites in the RCK Domain of the Mthk Gating Ring”, 59th Annual Meeting of the Biophysical-SocietyBaltimore, MD, 2015. 

306.  Dong-Qing Wei, “Structural Bioinformatics and Chinese Traditional Medicine Database For Drug Design and Personalized Medicine”, J Antivir Antiretrovir 3(4), 169(ISSN: 1948 -5964).

307. D.R. Salahub, H. Guo, E. Proynov, S. Sirois, J.F. Truchon, and Dong-Qing Wei, “Biomolecular modeling with density functional theory and other tools: Aspects of enzymic mechanisms”, Book of Abstracts, 215th ACS National Meeting, Dallas, March 29-April 2  (1998), PHYS-264.  Publisher: American Chemical Society, Washington, D. C.

308. Dong-Qing Wei and D.R. Salahub, “DFT ab initio molecular dynamics (MD) and combined DFT and MD simulation”, Book of Abstracts, 214th ACS National Meeting, Las Vegas, NV, September 7-11(1997), COMP-170. Publisher: American Chemical Society, Washington, D. C.

309. Dong-Qing Wei and Dennis R Salahub, “Density Functional Theory Ab Initio Molecular Dynamics and Combined Density Functional Theory and Molecular Dynamics Simulations”, ACS Symposium Series. 712, 159-171(1998). Publisher: American Chemical Society, Washington, D. C.

310.  DR Salahub, F. Bohr, ME Casida, JG Guan, C. Jamorski andDong-Qing Wei, ” Electronic Response Properties From Density Functional Theory”, Book of Abstracts. 208, COMP-33 (1994).  Publisher: American Chemical Society, Washington, D. C.

 

Presentations made at conferences(121)

 

1. Qin Xu and Dong-Qing Wei, “Multiple interconverting conformations of C99 dimer characterized by MD simulations”, International Workshop on Molecular Simulation 2018, Shanghai, China, August 25 - 27, 2018.

2. Dong-Qing Wei, “Discovery of Wgx-50 and its Anti-Aging Function”, Keynote Talk, 17th , Chinese National Conference of Interdisciplinary Sciences, Hulunbeier, China, Aug. 01-05, 2018.

3. Ru-Gu and Dong-Qing Wei, “Rare Event Dynamics Involving Membrane Systems and CADD”, Plenary Talk, 2nd Chinese Conference on Computational Biophysics and Molecular Simulations, Zhuhai, China, June 07-10, 2018.

4. Dong-Qing Wei, “Wgx-50 and its Role Anti-Aging and Radiation”, Plenary Talk, 1st High Level Forum of Radiation Biology, Ningbo, China, June 06-08, 2018.

5. Dong-Qing Wei, “Discovery of Wgx-50 and its Anti-Aging Function”, Keynote Talk, 11th Chinese National Neurology Doctors, Changsha, China, June 01-04, 2018.

6. Dong-Qing Wei, “Rare Event Dynamics Involving Membrane Systems and CADD”, Invited Talk, Computational Biophysics and Systems Biology”(CBSB2018), Shenzhen, China, May 20-23, 2018.

7. Qin Xu and Dong-Qing Wei, “Rare Event Dynamics Involving Membrane Systems and CADD”, Invited Talk, 5th National Bioinformatics Conference organized by Chinese Bio-Engineering Society, Tangshan, China, April 21-22, 2018.

8. Dong-Qing Wei and Abbas Khan, “Identification of Novel Drug Targets for Diamond Black-fan Anemia (DBA) Based on RPS19 Gene Mutation, Using Protein-Protein Interaction Network”, Invited Talk, 2017 International Conference of System Biology, Shenzhen, China, Aug. 18-21, 2017.

9. Dong-Qing Wei, “WGX-50 and its Role As a Drug Candidate of AD and Anti-Aging”, Plenary Talk, Symposium On Natural Medicine, Hangzhou, China, Aug. 9-12, 2017.

10. Dong-Qing Wei, “Personalized Drug, Precision Medicine, WGX-50 and its Role As a Drug Candidate of AD and Anti-Aging”, Plenary Talk, Conference on Functional Genomics and System Biology, Harbin, China, August 9-11, 2017.

11. Dong-Qing Wei, “ SNPs of CYP450 and Personalized Drug, Precision Medicine”, Plenary Talk, 3rd Conference on Digital Medicine and Big Data Analysis, Changchun, China, August 6-8, 2017.

12. Dong-Qing Wei, “Chemistry and Phase Transition of Deep Carbon”, Plenary Talk, 7th Conference From Atom to Earth, High Pressure Earth Science, Changchun, China, August 6-8, 2017.

13. Dong-Qing Wei and Guang-Fu Ji, Phase Transition and The Ultra-fast Chemical Reactions of Energetic Materials Explored by Ab Initio MD Simulations”, Plenary Talk at the 10th Conference of Computational Nano-Science and New Materials, Jishou, China July 16-19, 2017.

14. Dong-Qing Wei and Guang-Fu Ji, “Ultra-fast Chemical Reactions of Energetic Materials Explored by Ab Initio MD Simulations”, Invited Talk at the 13th National Conference of Quantum Chemistry, Dalian, China June 8-11, 2017.

15. Dong-Qing Wei, “Initial Chemical Reactions of Explosives Under Shockwave Impact”, the deMon Workshop, Calgary, Canada, May 11-17, 2017.

16. Dong-Qing Wei, “SNPs of CYP450, Personalized Drug, Precision Medicine, WGX-50 and its Role As a Drug Candidate of AD and Anti-Aging”, Plenary Talk at the 4thNational Conference of Bioinformatics, organized by the Bioinformatics Division, Chinese Biotechnology Association, Changsha, China, April 22-24, 2017.

17. Dong-Qing Wei, “Application and Assessment of Health Medicine Big Data”, Plenary Talk at the FirstNational Conference onthe Assessment and Protection of Health &Medicine Big Data Application, organized by the Division of the Assessment and Protection of Health &Medicine Big Data Application , Chinese Association of Health Information, Beijing, China, April 7-8, 2017.

18. Dong-Qing Wei, “SNPs of CYP450, Personalized Drug, Precision Medicine, WGX-50 and its Role As a Drug Candidate of AD and Anti-Aging”, Plenary Talk at the 2016 Big Dada Technology Conference, Beijing, China, Dec. 8-10, 2016.

19. Dong-Qing Wei, “Rare Event Dynamics and Free Energy of Membrane Systems”, Invited Talk at the 4th International Conference on Molecular Simulation (ICMS-2016), Shanghai, China, October 23-26,2016.

20. Dong-Qing Wei, “Rare Event Dynamics, Ion Permeation and Free Energy of Membrane Systems”, Invited Talk at the 7th National Conference of Bioinformatics and System Biology, Chengdu, China, October 7-9,2016.

21. Dong-Qing Wei, “Simulations of Protein Dynamics on Super-Computer and CADD”, Symposium of High Performance Computation, Beijing, September 22-24, 2016.

22. Dong-Qing Wei, “Rare Event Dynamics of Ion Permeation Across Membranes and Chains”, Theory and Application of Computational Chemistry, Seattle, USA, August 13-September 5, 2016.

23. Dong-Qing Wei, “An Improved Feature-Based Approach to Predict Effective Drug Combinations”, Invited Talk at the 10th  International Conference on Systems Biology, Weihai, China,  August 19-22, 2016.

24. Dong-Qing Wei, “Precision Medicine Informatics”, Plenary Talk at the 16th National Conference of Interdisciplinary Sciences, Dandong, China, August 5-8, 2016.

25. Dong-Qing Wei, “SNPs of CYP450 and Molecular Metabolism”, Plenary Talk at the 7th National Conference of Microbial Genetics, Huhhot,  China, August 5-8, 2016.

26. Dong-Qing Wei, “SNPs of CYP450and Molecular Metabolism and Toxicity”, Plenary Talk at the  6th Agricultural Microbiology, 15th Insecticidal Microorganism, 11th entomogenous fungi, Shanghai, China, July 17-19, 2016.  

27. Dong-Qing Wei, “Free Energy Calculations of Membrane Systems and CADD”,  2016 Shanghai Workshop on Frontiers in Molecular Biophysics,  Shanghai, China, July 23-26, 2016.

28. Dong-Qing, Wei, “QM/MM Studies of Enzyme Catalysis”, Plenary Talk at The 21st International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI) Vancouver,Canada,  July 2-9, 2016:

29. Dong-Qing Wei, “SNPs of CYP450and Molecular Metabolism and Toxicity”, Plenary Talk at the  2016 Cross-Strait Predictive Toxicology Conference:  Environment, Food and Health, Taichung, Taiwan, May 5-7, 2016.

30. Dong-Qing Wei, “Ab Initio MD and Fast Reactions of Energetic Materials”, Plenary Talk at the International Workshop Molecular Simulation, 2016, Xian, China, April 15-17,016.

31. Dong-Qing Wei, “HPC, Personalized Medicine and WGX-50”, Plenary Talk at the Conference of Big Data and Precision Medicine, Shanghai, China, March 25-27, 2016.

32. Dong-Qing Wei,  “Dynamics of  Passive Membrane Permeations”, Plenary Talk at the High Performance Computing Symposium, Changshu, Jiangsu, China, Nov. 27-28,2015.

33. Dong-Qing Wei, “High Pressure Physics and Chemistry of Some Carbon Containing System in The Geophysical Environment”, Plenary Talk at the 5th National Conference on High Pressure Geophysics-From Atoms to Earth, Beijing, China, Nov. 28-30, 2015.

34. Dong-Qing Wei, “Drug Screening Technology Based on The Traditional Chinese Medicine Database  and Anti-Aging Function of Wgx-50, a Molecule Extracted From Sichuan Pepper” Plenary Talk at the Annual National Conference on Active Components From Herbs, Changsha,  China, Nov. 11-18, 2015.

35. Yukun Wang, Ruoxu Gu and Dong-Qing Wei, “Free Energy Calculation For Membrane Systems and CADD”, Invited Talk at the  9th International Conference on Systems Biology (ISB 2015), Aug. 21-24, 2015, Luoyang, China.

36. Yukun Wang, Ruoxu Gu and Dong-Qing Wei, “Free Energy Calculation For Membrane Systems and CADD”, Invited Talk at the 13th National Conference on Computational Chemistry, Nov. 19-22, 2015, Guangzhou, China.

37. Dong-Qing Wei, “Drug Screening Technology Based on The Traditional Chinese Medicine Database  and Anti-Aging Function of Wgx-50, a Molecule Extracted From Sichuan Pepper”, Plenary Talk at the 2nd National Conference on New and Green Technology of Pharmacology, Lasha, China, July 25-27, 2015.

38. Yukun Wang, Ruoxu Gu and Dong-Qing Wei, “Free Energy Calculation For Membrane Systems and CADD”, Plenary Talk at the Annual National Conference on System Biology and Bioinformatics, Zhuhai,  China, May 5-7, 2015.

39. Dong-Qing Wei, Yukun Wang, Ruoxu Gu, Huameng Fan, Dan Hu and Jacob Ulmschneide, “Rare Event Dynamics: Ion Transportation Through Protein channels and Across Membranes and CADD”, Plenary Talk at the Young Scholar Frontier Symposium on Quantitative Biology Development,  Beijing, China, May 8-10, 2015.

40. Dong-Qing Wei, “Physics and Chemistry of Deep Carbon Circulation”, Plenary Talk at the 3rd National Conferences on Geo-biochemistry, Wuhan, China, March 17-18, 2015.

41. Dong-Qing Wei, “A Drug Candidate from Traditional Chinese Medicine and Its Potential Role Against AD And in Anti-aging”, Symposium of Traditional Medicine, Cha University and Cha Hospitals, Seoul, Korea, Jan. 19-22, 2015.

42. Dong-Qing Wei, Yukun Wang, Ruoxu Gu, Huameng Fan, Dan Hu and Jacob Ulmschneide, “Rare Event Dynamics: Ion Transportation Through Protein channels and Across Membranes and CADD”, Plenary Talk at the Workshop on Frontiers of Molecular Simulations,  Beijing, China, Jan. 4-5, 2015.

43. Yukun Wang, Ruoxu Gu and Dong-Qing Wei, “Free Energy Calculation For Membrane Systems and CADD”, Invited Talk at 6thNational Conference on Bioinformatics and System Biology,  Najing, China, Oct. 6-9, 2014.

44. Dong-Qing Wei, Kai Xu, Yanzhi Bai, Shouxin Cui and Guangfu Ji, “Preliminary Studies of Carbon Circulation- Chemical Reactions of Systems Consists of  C, H, N, O in The High Pressure Regime, And Solid Phases of Carbon Dioxide”, Plenary talk at The Oriental Forum, Shanghai, China, Sept. 28-30, 2014.

45. Yukun Wang, Ruoxu Gu and Dong-Qing Wei, “Rare Event Dynamics: Ion Transportation Through Protein channels and Across Membranes and CADD”, Plenary Talk at 14thNational Conference of Interdisciplinary Sciences,  Zhengzhou, China, Sept. Aug. 7-10, 2014.

46. Nina Ge, Guangfu Ji and Dong-Qing Wei, “Quantum Chemical Simulation of Chemical Reactions in the decomposition of explosives”, Plenary Talk at the 10th National Explosion Mechanics, Guiyang, July 26-30, 2014.

47. Yukun Wang, Ruoxu Gu and Dong-Qing Wei, “Rare Event Dynamics: Ion Transportation Through Protein channels and Across Membranes and CADD”, Plenary Talk at 26thCanadian Symposium on Theoretical and Computational Chemistry (CSTCC),  Montreal, Quebec, Canada, July 1-5, 2014.

48. Peng Lian, Dong-Qing Wei, Hong Guo, Jeremy Smith “QM/MM Studies of Enzyme Catalysis”, Plenary Talk at deMon workshop, Los Cabos, Mexico, April 28-May 1st, 2014.

49. Dong-Qing Wei and Yan-Zhi Bai, “Compression and Chemical Reactions For Systems Consists of C, H, N, O, And High Pressure Phases of Carbon Dioxideand Para-xylene (p-xylene)”, 2nd Conference on Geochemistry and Geo-biochemistry”, Wuhan, March 16-18,2014.

50. Dong-Qing Wei, “Bioinformatics Studies of CYP450 and Personalized Drug Metabolism”, Plenary Talk at the 4th International Conferences on Computational and System Biology(ICCSB), Shenzhen, China, Nov. 14-16, 2013.

51. Yukun Wang, Ruoxu Gu and Dong-Qing Wei, “Rare Event Dynamics:Ion Transportation Through Protein channels and Across Membranes”, Invited talk at 12th National Computational Chemistry Conference, Suzhou, China, Oct. 21-24, 2013.

52. Ruoxu Gu, Yukun Wang and Dong-Qing Wei, “Rare Event Dynamics:Ion Transportation Through Protein channels and Across Membranes”, Invited talk at 6th Asian and Pacific Conference on Theoretical and Computational Chemistry(APCTCC6), Gyeongju, Korea, July 10-13, 2013.

53. Li Li, Hai Dai and Dong-Qing Wei, “Bioinformatics Studies of CYP450 SNPs and Personalized Drug Metabolism”, Invited talk at the 94th AAAS Pacific Division Annual Meeting, Las Vegas, USA, June 16-19, 2013.

54. Kai Xu, Juqiang Jiang and Dong-Qing Wei, “Introduction to deMon-GUI and QM/MM Studies of Enzyme Catalytic Reactions”, Plenary Talk at deMon workshop, Toulouse, France, June 20-24, 2013.

55. Dong-Qing Wei, Kai Xu, Yanzhi Bai, Shouxin Cui and Guangfu Ji, “Preliminary Studies of Carbon Circulation- Chemical Reactions of Systems Consists of  C, H, N, O in The High Pressure Regime, And Solid Phases of Carbon Dioxide”, Plenary talk at Symposium of  High Pressure Science and Technology in Memory of Prof. Fuqian Jing, Wuhan University of Science and Technology, Wuhan, China, Sept. 24-27, 2012.

56. Dong-Qing Wei, Yukun Wang, Ruoxu Gu, Huameng Fan, Dan Hu and Jacob Ulmschneider, “Rare Event Dynamics and Its Applications on the Free Energy Calculations for Membrane Protein Systems”, Invited talk at the Theory and Application of Computational Chemistry(TACC 2012), Pavia, Italy, Sept. 1-8, 2012.

57. Dong-Qing Wei , “Simulations of Chemical and Biological Systems From Explosives to Membrane Proteins”, Plenary talk at the Worldwide Chinese Computational Biology and Molecular Simulation Conference, Dalian, Aug. 9-12, 2012.

58. Dong-Qing Wei, Ruo-Xu Gu, Peng Lian and Huai-meng Fan, “Structural Bioinformatics and Chinese Traditional Medicine Database For Drug Design”, Invited talk at the 5th National Conference of Bioinformatics, Harbin, Aug. 7-10, 2012.

59. Dong-Qing  Wei, “Molecular Simulations of Solid Explosives”, Plenary talk at the 9thNational Conference on Explosive Mechanics, Xining, China, July26-31 2012;

60. Dong-Qing  Wei, “Computer Simulations A Must-having Tools for Biological and Material Sciences”,  Plenary talk at the 15thNational Conference of Chinese Interdisciplinary Sciences”, Yinchuan, China, Aug. 1-4, 2012;

61. Dong-Qing  Wei, Ruo-Xu Gu, Peng Lian and Huai-meng Fan, “Simulations of Chemical and Biological Systems From Explosives to Membrane Proteins”, invited talk at the Professor Nick Quirke 60th birthday symposium at Imperial College of London, London, England, July 6, 2012.

62. Dong-Qing  Wei, “Structural Bioinformatics and Chinese Traditional Medicine Database For Drug Design”, invited talk at the International Symposium on Molecular Cognition  and Translational Research of Neuropsychiatric Disorders, in Shanghai, China, April 28-30, 2012.

63. Dong-Qing  Wei, “Structural Bioinformatics and Chinese Traditional Medicine Database For Drug Design”, Invited talk at The 28th Congress of Chinese Chemical Society, Chengdu, China, April 13-16, 2011;

64. Dong-Qing  Wei, “Structural Bioinformatics and Chinese Traditional Medicine Database For Drug Design and Personalized Medicine”, invited talk at the International Conference and Exhibition on Virology, , Boston, USA, 2011, 5-7 September 2011.

65. Dong-Qing  Wei, “Reaction Mechanism of Solid Explosive”, Invited talk at The National Conference on Theoretical and Quantum Chemistry, Hefei, China, July 2011;

66. Dong-Qing  Wei, “Reaction Mechanism of Solid Explosive”, Plenary talk at Conference From Atom to Earth, Dalian, China, July 2011;

67. Dong-Qing  Wei, “Reaction Mechanism of Solid Explosive”, Plenary talk at The National Conference on Dynamics Response, Tianyuan, China, July 2011;

68. Dong-Qing Wei, “Structural Bioinformatics, Traditional Chinese Medicine Database(TCMD) and Personlized Drug Design”,  Asian Biotechnology Congress, May 11-15,  Shanghai, China, Invited talk;

69. Dong-QingWei, “Computational Chemistry for Some Real Chemical and Biological Problems”, Plenary talk at deMon Workshop, Bremen, Germany, June, 2011;

70. Dong-Qing Wei, “Computational Chemistry For Some Real Chem/Bio Problems: Reaction Mechanism of Explosives, Personalized Drug Design, Membrane Proteins and Protein-DNA Interactions,  Indian Theoretical Chemistry Symposium, Dec. 8-12,  Kanpur, India,  plenary talk;

71. Dong-Qing Wei, “Thermal Decomposition of The Solid Phase Nitromethane: Ab Initio Molecular Dynamics Simulations”, Workshop of Shock Wave Physics, Aug. 19-23, Shanghai, China,  plenary talk;

72. Dong-Qing Wei, “Structural Bioinformatics For Real Biological Problems:Personalized Drug Design, Membrane Proteins And The Protein-DNA Interactions”, Sino-German Workshop on Computational systems biology approaches for cancer research and biomarker discovery, January 11-15,  2010 Zhejiang University, Hangzhou, China, invited talk;

73. Dong-Qing Wei, “Structural Bioinformatics, Traditional Chinese Medicine Database(TCMD) and Personlized Drug Design”,  2008 Analysis of Effective Components of Chinese Traditional Medicines, Haikou, Nov. 11-13, 2009, plenary talk.

74. Dong-Qing Wei, “Structural Bioinformatics, Traditional Chinese Medicine Database(TCMD) and Personlized Drug Design”,2009 International Workshop on Computational and Integrative Biology, a satellite meeting of the International Conference of Integrative Biology, September 18th to 20th, 2009, Hangzhou, China, invited talk.

75. Dong-Qing Wei, “Structural Bioinformatics, Traditional Chinese Medicine Database(TCMD) and Personlized Drug Design”, Recent Progress in Computer Simulations in Molecular Sciences, Seoul, Korea, June 14-16, 2009, plenary  talk.

76. Dong-Qing Wei, “Structural Bioinformatics, Traditional Chinese Medicine Database(TCMD) and Personlized Drug Design”, Westlake International Conference on Personalized Medicine, Hangzhou, China, May 29-30,  2009, invited  talk.

77. Dong-Qing Wei, “Structural Bioinformatics, Traditional Chinese Medicine Database(TCMD) and Personlized Drug Design”, 2008 World Gene Congress, Fushan, Oct. 5-7 2008, invited talk.

78. Dong-Qing Wei, “Structural Bioinformatics, Traditional Chinese Medicine Database(TCMD) and Personlized Drug Design”,  2008 Analysis of Effective Components of Chinese Traditional Medicines, Shenzhen, Oct. 6-8, 2008, invited talk.

79. Dong-Qing Wei, “Structural Bioinformatics, Traditional Chinese Medicine Database(TCMD) and Personlized Drug Design”, Theory and Application of Computational Chemistry(TACC 2008), Shanghai, Sept. 23-27 2008,chairman and plenary talk.

80. Dong-Qing Wei, “Structural Bioinformatics, Traditional Chinese Medicine Database(TCMD) and Personlized Drug Design”, 3Rd  National Conference on Bioinformatics and System Biology, Wuhan, Oct.  7-9 2008, invited talk.

81. Dong-Qing Wei, “Structural Bioinformatics and Personlized Drug Design”, 5thMMPH Congress, Emeishan, Aug. 2008. Plenary talk and 5th Jiao Shanqing MMPH award.

82. Jing-Yi Yan, Dong-Qing Wei, Jing-Fang Wang , “Interactions of CYP2C9 with Different Substrates and its Implications for Metabolic Mechanism”, The 2nd IEEE International Conference on Bioinformatics and Biomedical Engineering, Wuhan, May, 2008(Co-chairman and invited talk).

83. Jing-fang Wang, Lin Li, Dong-Qing Wei and Kuo-Chen Chou, “Discovery of Anti-HIV Drugs Using Computer Aided Drug Design Tool”, The 1st IEEE International Conference on Bioinformatics and Biomedical Engineering, Wuhan, July, 2007(Division chairman and invited talk).

84. Lin Li and Dong-Qing Wei, “Discovery of Drugs Using Computer Aided Drug Design Tool”, 10th International Congress on Amino Acids and Proteins, Chalkidiki, Greece, August, 2007(invited talk).

85. Jing-fang Wang and Dong-Qing Wei, “Molecular Modeling of CYP450 and Personalized Drug Design”, 9th Computational Conference of Chinese Chemical Society, Chengdu, Aug. 2007.

86. Dong-Qing Wei, “Computer Aided Drug Design Against HIV Based on Traditional Chinese Medicine Database”, World AIDS Day, Tianjin, Nov.  2006(invited talk).

87. Dong-Qing Wei, “Inhibitor Design Against Viruses”, International Symposium for Chinese Medicinal Chemists, ISCMC, Nanjing, October, 2006(invited talk).

88. Dong-Qing Wei, “Bioinformatics and Inhibitor Design Against Viruses”, 25th Chinese Chemical Societies, Changchun, China, July, 2006(invited talk).

89. Liu Hong, Zhao Jijun, WEI Dong-Qing, GONG Zizheng, First-Principles Study of Solid Nitromethane under High Pressure, International Autumn Seminar on Propellants, Explosives and Pyrotechnics, Beijing, Nov. , 2005(invited talk)

90. Weina Gao and Dong-Qing Wei, “Bioinformatics and Its Application on Inhibitor Design Against SARS”, 3rd International Symposium Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI-2005), Shanghai, Oct. 2005.

91. Dong-Qing Wei and Qishi Du, “A Combined Study of Ab Initio Quantum Mechanics and   Integral Equation Theory in Three-Dimensions”, 9th Quantum Chemical Conference, Guilin, Oct., 2005(invited talk and session chair).

92. Qishi Du and  Dong-Qing Wei et al, invited talks of 8 papers on “Studies of the SARS drug design” and other research, Chinese Chemical Societies, Changsha, P.R. China, April, 2004(invited talk).

93. Dong-Qing Wei, invited talk, “Bioinformatics And Its Application to Drug Design Against SARS”, International Conference on Theory and Application of Computational Chemistry(TACC), Geonjiu, Korea, Feb., 2004(invited talk).

94. Dong-Qing Wei, plenary talk, “ab initio Molecular Dynamics Simulations of Molecular Liquids”,  12th High Pressure Physics Conference , Huangshan, P.R. China, Sept., 2004(plenary talk).

95. Jijun Zhao, Hong Liu, Zi-Zheng Gong ad Dong-Qing Wei, invited talk, “Ab Initio Studies of Organic Molecular Crystals”,  Xiamen, P.R. China, Nov., 2004(special invited talk).

96. Zi-Zheng Gong, Zhang Xu-Dong, Han Gao, He Bi, Hong Liu, Dong-Qing Wei and Guo Yongxin, invited talk “New Progress in Metallic Hydrogen Research”, Xiamen, P.R. China, Nov., 2004.

97. Rui Zhang, Yu Ji, Aixiu Li, Xin Zhang, Qishi Du, Kuo-Chen Chou, and  Dong-Qing Wei, Scoring and Docking Studies of the SARS-CoV Mpro binding with a few inhibitors”, The Second Annual World Congress, The Human Proteome Organization, Montreal, 2003(invited talk).

98. S.S. Decker and T.K. Woo, Dong-Qing Wei and F. Zhang, “Combined QM/MM and Ab Initio Molecular Dynamics of Nitromethane at High Pressure”,  in “12th International Detonation Symposium”, San Diego, 2002

99. Dong-Qing  Wei, F. Zhang and T. K. Woo, “First-Principle Simulations of Energetic Molecular Liquids”,  in “Shock Wave Physics”, Atlanta, 2001

100. Dong-Qing Wei, "Application of Quantum/Classical Molecular Dynamics to Biologically Interesting Systems", in "New Perspectives for Computer-aided Drug Design", Montreal, April, 1999.

101. Dennis R. Salahub, Hong Guo, Emil Proynov, Suzanne Sirois, Jean-Francois Truchon and Dong-Qing  Wei, "Biomolecular Modeling with Density Functional Theory and Other Tools: Aspects of Enzymatic Mechanisms", in "ACS Meeting", Dallas, 1998(invited talk).

102. Dennis R. Salahub, Steeve Chrétien, Anne Milet, Emil Proynov, Suzanne Sirois, Dong-Qing Wei, "Activation Energies and Dynamics from DFT: How Good Are the Functionals?"  in "DFT Based Descriptors of Reactivity: Concepts And Applications", Cracow, Dec. 3-5, 1998(invited talk).

103. Dong-Qing Wei "Recent Advances on the Molecular Theories of Electrolyte Solutions: Equilibrium Structures, Thermodynamics and Dynamics", “The Problems of Solvation and Complex Formation in Solutions”, Ivanovo, Russia, 1998(plenary talk).

104. Dong-Qing  Wei, "Ab Initio MD and Its Application", “The Second International Conference on Frontiers of Physics” and “Joint  Meeting of Chinese Physical Societies”, on the Occasion of Professor Dayou Wu's 90th birth day, Taipei, 1997.

105. Dong-Qing  Wei and D.R. Salahub, "DFT Ab Initio Molecular Dynamics and Combined DFT and Molecular Dynamics Simulations", “214th American Chemical Society National Meeting”, Las Vegas, September, 1997.

106. Dong-Qing  Wei and D.R. Salahub, "Hydrated Proton Clusters: Structure, Spectroscopy and Ab Initio Dynamics", “Gordon Research Conference”, NH, USA,  Aug, 1996.

107. Dong-Qing Wei "Theory and Simulation of Strongly Interacting Dipolar Fluids: Ferroelectric Liquid Crystals, Ferrofluids and Electrorheological Fluids", “The First International Conference on Frontiers of Physics: Looking to the 21st Century”, Shantou, 1995.

108. D. Salahub, Dong-Qing Wei, M. Leboeuf, Hong Guo, V. Malkin, O. Olga, T. Woolf and B. Roux, "Chemical Reactivity in Complex Environments Studies With Density Functional Theory and Other Tools", oral presentation in the Scientific Session, Network of Centres of Excellence in Molecular and Interfacial Dynamics, Victoria, B.C., May4-7, 1994.

109. Dong-Qing Wei, A. Chandra and G. Patey, "Ion Solvation Dynamics", “The Second Canadian Computational Chemistry Conference”, Kingston, May 21-25, 1994.

110. Dong-QingWei, G.M. Torrie and G.N. Patey, "Molecular Solvent Model For an Electrical Double Layer: Effects of Ionic Polarizability", "76th Canadian Society for Chemistry Conference and Exhibition", June, 1993, Sherbrooke, Quebec, Canada.

111. Dong-Qing Wei and G.N. Patey, "Ferroelectric Liquid Crystals: a Computer Simulation Study", 34th IUPAC Congress, Beijing, August, 1993, “76th Canadian Society for Chemistry Conference and Exhibition”, June, 11,  Sherbrooke, Quebec, Canada, the Scientific Session, 1992, Network of Centers of Excellence in Molecular and Interfacial Dynamics, Vancouver, B.C., Canada.

112. Dong-Qing Wei and G.N. Patey, "Dynamics in a Ferroelectric Nematic Phase", "The Gorden Conference on Water and Aqueous Solution", August, 1992, New London, NH, USA.

113. Dong-Qing Wei and G.N. Patey, "Orientational Order in Simple Dipolar Liquids: Computer Simulation of a Ferroelectric Nematic Phase". “The Gorden Conference on Water and Aqueous Solution”, August, 1992, New London, NH, USA.

114. Chandra, Dong-Qing Wei and G.N. Patey, "Dielectric Relaxation of Electrolyte Solutions", “The Gorden Conference on Water and Aqueous Solution", August, 1992, New London, NH, USA.

115. Dong-Qing Wei and G.N. Patey, "The Double Layer Structure in a Model Electrolyte Solution of Polarizable Anion", "The Gorden Conference on Water and Aqueous Solution", August, 1992, New London, NH, USA.

116. Dong-Qing Wei, G.N. Patey, "Dielectric Relaxation of Molecular Liquids", “The Gorden Conference on Water and Aqueous Solution", August, 1990, New London, NH, USA.

117. Dong-Qing Wei, G.N. Patey, "Rotational Motion in Molecular Liquids", "The Canadian Society for Chemistry Conference", June, 1989, Victoria, B.C..

118. Dong-Qing Wei, J.J. Zhu, J.S. Lu and L. Blum, "Thermodynamic Behavior of Salt in Mixed Solvents", The Gorden Conference on Water and Aqueous Solution”, August, 1986, New London, NH, USA.

119. Dong-Qing Wei and J.S. Lu, "The Salt Effect on the Gas-liquid Equilibrium in Mixed Solvents", “The Second National Conference on Thermodynamics, Thermochemistry and Thermoanalysis”, September, 1984, Wuhan, China.

120. Dong-Qing Wei, "Time Oscillation Study of a Two Molecule Three Intermediate Reaction", “The Fourth National Conference on Non-equilibrium Statistical Mechanics", October, 1984, Guilin, China.

121. Dong-Qing Wei, "Markov Processes in Meteorology", “Symposium on the Application of Statistical Physics on Meteorology", September, 1983, Xinjiang, China.

 

Membership and Professional Affiliations

 

Editor-in-Chief,Interdisciplinary Sciences - Computational Life Sciences”;

Executive Editor, “Journal of Bioinformatics and Diabetes”;

Guest Editor,  “Current Drug Metabolism”, “Current Topics in Medicinal Chemistry”;

Review Editor: Frontiers in Genetics and Genomics;

Editorial Advisor: the Royal Society of Chemistry book series on Theoretical  &  Computational Chemistry.

Editorial BoardMolecular Simulation, Journal of Molecular Modeling and Graphics,  “Scientific Reports”, “Protein  & Peptide Letters”, Journal of Atomic and Molecular PhysicsIn Chinese”, Chinese Journal of High Pressure Physics(In Chinese), J. Biomedical Research”, International Journal of Biomedical Engineering and Consumer Health Informatics”, “The Open Drug Discovery Journal”, “World Journal of Condensed Matter Physics", “Journal of Biotechnology and Biomaterials”, “Journal of Pharmaceutics”, “Journal of Bioinformatics and Diabetes”, “Computational Molecular Bioscience”, “Pharmacologia”,  “Journal of Proteomics and Computational Biology”, “Computational Materials Science”, Journal of Bioresearch Communications”, “Conference Papers in Biology”.     

 

Referees of the following journals:

Phys. Rev. Letters, Phys. Reviews, JACS, Bioinformatics, Briefing in Bioinformatics, J. Chem. Inf. Model., JCTC, J. Med. Chem., Biophys. J., J. Biophys., BMC Systems Biology, J. Theor. Bio., Scientific Report, Current Med. Chem., Med. Chem., J. Chem. Phys. Chem. Phys. Lett., J. Phys. Chem., PCCP,  J. Comp. Chem., Chem. Phys., BBRC, Mol. Phys., Mol. Simulation, BMC Microbiol., BBAAmino Acids, Int. J Bio Macromol, Int. J.  Infectious Diseases,  Biotech. Prog., IEEE Trans. Comp. Bio. and Bioinformatics, App. Biochem. and Biotech., Cancer Lett., Bioorg. Med. Chem., Protein Peptide Lett., Pharmacogenetics, J. Mol. Graph and Modeling, Acta Chem. Sin. , Chinese Physics Letter, J. Energetic Materials, Chem. J. of Chinese Universities, Chinese Science Bull., Comp. Phys., PloS One, PLoS Comp Bio.,Nature Communication, App Phys., App Phys. Lett., Mol. Liquids, .

 

Chairman, International Association of Scientists in the Interdisciplinary Areas(IASIA);

Vice Chairman and Chief of Standing Committee for the Division of Bioinformatics, Chinese Society of  Interdisciplinary Sciences;

Vice Chairman, Division of the Assessment and Protection of Health &Medicine Big Data Application , Chinese Association of Health Information;

Standing Committee Member of the Division of Functional Genomics Bioinformatics and System Biology, Chinese Cell Biological Society;

Executive Standing Committee Member of the Computational System Biology Division, Chinese Society of Operational Research;

Standing Committee Member of the Subdivision for Dynamic Response of Weaponry Materials, Chinese Association of Military Industries;

Ex-Member, IEEE and Engineering in Medicine and Biology Society;

Ex-Member, Biophysical Society

Ex-Member, American Chemical Society

Member, the Virtual Laboratory for Computational Chemistry of CNIC and Supercomputing Center of CNIC, Chinese Academy of Sciences

 

International Conferences Involved

 

Organizing Committee Member“The IEEE International Conference on Bioinformatics and Biomedicine (BIBM)” Dec 3-6,  2018, Madrid, Spain.

Member of the Program Committee, “The 13th International Conference on System Biology(ISB)”, August 18-21, 2018, Guiyang, China.

Member of Organizing Committee, “17th Chinese National Conference of Interdisciplinary Sciences”,  Aug. 01-05, 2018, Hulunbeier, Spain.

Member of Organizing Committee, “10th Edition of International Conference on Structural Biology 2018”,  March 15-16, 2018 Barcelona, Spain.

Organizing Committee Member“The IEEE International Conference on Bioinformatics and Biomedicine (BIBM)”November 17, 2017, Kansas City, Missouri, USA.

Organizing Committee Member, “International Conference on Proteomics (ICP-2017)”, November 20-21, 2017, Rome, Italy.

 Member of the Program CommitteeGIW / BIOINFO 2017 (International Joint Conference onGenome Informatics Workshop(GIW) and BIOINFO of KSBi 2017)”, Oct 31-Nov 3, 2017 Seoul, South Korea.

Committee of Scientific Advisors, The Baltic Conference Series”, 08 – 11 October 2017, Sweden.

Chairman of Publication Committee,“Big Data Conference of Chinese Computation Federation(CCF)”, October 14-16, 2017Shenzhen, China.

Member of the Program Committee, “The 16th International Conference on Bioinformatics (InCoB 2017)”,  September 20-22, 2017, Shenzhen, China.

Co-Chair and Chairman of Technical Committee,  “6th International Conference on Bioinformatics and Biomedical Science (ICBBS 2017)”, June 22-24, 2017, Singapore.

Member of the Program Committee, “8th International Conference on Proteomics and Bioinformatics"May 22-24, 2017, Osaka, Japan.

Member of the Program Committee,  “7th National Conference of Bioinformatics and System Biology”, October 19-23,2016, Chengdu, China.

Member of the Program Committee,  “15th annual InCoB (International Conference on Bioinformatics)”, September 21-23,2016, Singapore.

Member of the International Advisory Committee, “Theory and Applications of Computational Chemistry”—TACC 2016, Sept. 2016, Seattle, USA.

Member of Advisory Committee, “Symposium of Interdisciplinary Studies of Mathematics, Computer and Life Sciences”, May 21-22,  2016, Beijing, China.

Chairman, “deMon Workshop”, May 4-8, Zhengzhou, China.   

Chairman, “Symposium of Big Data and Precision Medicine”, March 25-27,  2016, Shanghai, China.

Member of the International Advisory Committee, “International Conference on Bioinformatics and Systems Biology (BSB) ”, March 4-5, Allahabad, India.

Member of the Program Committee, “The 26th annual GIW and 14th annual InCoB conference”, September 9-11, 2015, Tokyo, Japan.

Member of the Program Committee, “The 9th International Conference on System Biology(ISB)”, August 21-24, 2015, Luoyang, China.

Member of the Program Committee, “International Conference on Biological Engineering and Gene Technology”, July 18-19, 2015 Shanghai, China.

Member of the International Advisory Board, “2nd World Congress on Biotechnology”, June 2015, Hyderabad city, India.

Member of the Program Committee, The 8th International Conference on Systems Biology and the 4th Translational Bioinformatics Conference, October 25-27, 2014 Qingdao, China.

Chairman,  The Oriental Forum, Sept. 28-30, 2014, Shanghai, China.

Member of Organizing Committee,  The 6th National Conference of Bioinformatics and System Biology, Oct. 6-9, 2014, Najing, China.

Member of the Program Committee, International Conference on Bioinformatics,  July 31-Aug.4, 2014, Sydney, Australia.

Member of the Program Committee, 13th International Conference on Bioinformatics of the Asia-Pacific Bioinformatics Network, July 31- Aug. 2, 2014, Sydney, Australia.

Member of the Program Committee, IEEE BIBM 2013(The IEEE International Conference on Bioinformatics and Biomedicine), Dec. 18-21, 2013, Shanghai, China.

Chairman of the Advisory Committee, International Conference on Computational and System Biology, Nov. 14-16, 2013,  Shengzhen, China, Sponsored by the International Association of Scientists in the Interdisciplinary Areas(IASIA),  South University of Science and Technology of China (SUSTC) and The  2nd Hospital of Shenzhen;

Organizing Committee Member, Cell Science-2013, November 20 – 22, 2013. Baltimore, USA, organized by OMICS Publishing Group.

Member of the Program Committee, The 12th International Conference on Bioinformatics Sept. 20-23, 2013, Taicang, Suzhou, China.

Chairman, National Symposium on Deep Carbon Circulation, July 19-24, 2013, Lushan, Jiangxi, China,  Sponsored by Chinese National Geophysical Society and International Association of Scientists in the Interdisciplinary Areas(IASIA);

Member of the Program Committee, 1st International Conference on Translational Biomedical Informatics(ICTBI 2012), December 8-10, 2012, Taicang, Suzhou, China.

Chairman, International Conference on Computational and System Biology, Oct. 12-14, 2012,  Shanghai, China, Sponsored by The IEEE Engineering in Medicine and Biology Society(EMBS), and International Association of Scientists in the Interdisciplinary Areas(IASIA);

Session Chair, Symposium of High Pressure Physics, Sept. 25-27, Wuhan, China.

Vice Chairman And Session Chair, Theory and Application of Computational Chemistry, Sept. 2-7, 2012, Pavia Italy;

Session Chair, The Worldwide Chinese Computational Biology and Molecular Simulation Conference, Aug. 9-12, 2012, Dalian.

Session Chair, the 5th National Conference of Bioinformatics, Harbin, Aug. 7-10, 2012.

Chairman, 13th deMon Developer Workshop, May 11-15, 2012,  Shanghai, China;

Member of Program Committee, The IEEE International Conference on Bioinformatics and Biomedicine (BIBM), Oct. 4-7, 2012, Philadelphia, USA.

Member of Program Committee, 5th National Bioinformatics Conference, Aug. 7-10, 2012, Harbin, China.

Chairman, International Conference on Computational and System Biology, Oct. 12-14, 2011,  Shanghai, China, Sponsored by The IEEE Engineering in Medicine and Biology Society(EMBS), and International Association of Scientists in the Interdisciplinary Areas(IASIA);

Member of program committee, 2011 Asian Congress of Biotechnology, May 11-15, 2011, Shanghai, China;

Chairman, International Conference on Computational and System Biology, Oct. 22-24, 2010,  Hangzhou, China, Sponsored by The IEEE Engineering in Medicine and Biology Society(EMBS), and International Association of Scientists in the Interdisciplinary Areas(IASIA);

Program Chair, International Conference on Computational System Biology, Suzhou, China, Sept. 9-11, 2010, co-sponsored by National Natural Science Foundation of China (NSFC), Academy of Mathematics and Systems Sciences of CAS (AMSS), Shanghai Institutes for Biological Sciences of CAS (SIBS), Shanghai Jiaotong University, Soochow University, Computational Systems Biology Society of ORSC, Systems Biology Technical Committee of IEEE SMC Society, and also technically sponsored by IEEE SMC Society;

Member of program committee, The 2010 IEEE International Conference on Bioinformatics and Biomedicine, Dec. 19-22, 2010,  Hong Kong;

Chairman, International Conference on Computational and System Biology, Oct. 9-11, 2009,  Shanghai, China, Sponsored by The IEEE Engineering in Medicine and Biology Society(EMBS), and International Association of Scientists in the Interdisciplinary Areas(IASIA);

Member of organizing committee, The 7th International Bioinformatics Workshop, June 19th-21st, 2009, Soochow University, Suzhou, China;

Member of organizing committee, The 8th International Bioinformatics Workshop, 2010, Wuhan, China;

Chairman, Theory and Application of Computational Chemistry, Sept. 23-27, 2008, Shanghai, China, one of the largest theoretical chemistry conferences attended by 1000 scientists with 50 plenary talks;

Chairman, 2nd IEEE Conferences on Bioinformatics and Biomedical Engineering, May 16-20, 2008, Shanghai, China;

Member of program committee, International Conference on Intelligent Data Engineering and Automated Learning(IDEAL), 2003-present

 

Recent Grants and Awards

 

1. Foundamental Theory and Methods of High Throughput Ptoeometics Computation, Major Grant, National Foundation, 2.81 million, project PI, Project No: 61832019, 2019-2023.

2. The Interfacial Features and Recognition Mechanism of Protein-Protein Interactions, The Priority Area of Research, Ministry of Science and Technology, Project No.: 2016YFA0501703,  2016-20214,4 million RMB, project leader.

3. Pharmacology Research and New Drug Development of Mangostin Against AD, Joint Medical-Engineering Researh Funds, Shanghai Jiaotong University, Project No. YG2017ZD14, 0.7 million, project co-leader.

4.  Phase Transition of Engetic Molecular Crystals, The Challenge Research, Chinese Academy of Engineering Physics, 2016-2021, 2.8 million, project leader.

5. P450 Enzyme and Efficient Biological Synthesis of phenylpropanoic compounds,  Major Project of the National Key Lab. of Microbial Metabolism, 2016-2018 1 millionproject leader.

6. The first class awards of the national classical publication fund for Translational Medicine Informatics, National Funds Publication,  2016-2016160,000RMB, project leader.

7. The first class international journal drive for Interdisciplinary Sciences: Computational Life Sciences, Shanghai High Level Journal Support Project, 2016-2016 300,000RMB, project leader.

8. Microbial Metabolism in The Waste Treatment of Pig Farms, The National Key Technology Support Program, 2014-2016, project leader.

9. Graduate Students Forum of Computational and System Biology, Shanghai Graduate Degree Commission, 2013-2014project leader.

10. Software Development of Personalized Drug Design and Virtual Screening Service, National Innovation Funds, 2012-2015, project leader, project. No.  238312C26213202383.

11. Fund for International Journal, Shanghai Jiaotong University, 2013-2014, project leader.  

12. Software Development For The Property Computation of Energetic Materials, Software Center, Chinese Academy of Engineering Physics, 2013-2014project leader.

13. Joint Biophysics Lab., Shanghai Bureau of Foreign Expert, 2012-2013, project leader, project No. B2012-093.

14. Ab Initio Molecular Dynamics Simulation of Typical Explosives, National Science Foundation of China, 2012-2015, Project Leader, Project No.  11174201.

15. Multi-targets Drug Screening Technology Based on The Chinese Traditional Medicine Database, The National Research Foundation for the Doctoral Program of Higher Education of China under Grant No.20120073110057.

16.  Drug Screening Technology Unifying Western and Chinese Medicine,  The National High Technology Research and Development Program of China(863), 2012-2016, PI, project No.  2012AA020307.

17. Fundamental and Key Problem of Synthetic Biology, The National Basic Research Program of China(973),  Ministry of Science and Technology, 2012-2015, PI, project No. 2012CB721000.

18. The Major Project, Shanghai Commission of Science and Technology on The Structure of BK Channel And Molecular Mechanism Regulated by The Long Chain Fatty Acids, Prof. No11JC1406400,2011-2014, PI.

19. The Interdisciplinary Research Project of Shanghai Jiaotong University on The Muti-scale Research of The Molecular Mechanism of antimicrobial peptide Minics, 2011-2013,project leader, Project No. AE0800006.

20. Research and Development of Unified Software for SNPs of Drug-Metabolic Enzyme and Drug Response, The National High Technology Research and Development Program of China(863), 2008-2012, project leader, project No. 2007AA02Z333.

21. The National Basic Research Program of China(973) on Fundamental Durability Problems of Aerospace Devices and Equipment,  Ministry of Science and Technology, 2011-2014, PI, project No. 2011CB707500.

22. The National Basic Research Program of China(973) on Fundamental and Key Problem of Artificial Vision,  Ministry of Science and Technology, 2005-2014, PI, project No. 2005CB724303 and 2011CB707500.

23. Molecular Dynamics Simulation of Typical Explosives, National Key Lab. on Explosive Science and Technology, 2009-2011, Project Leader, Project No. KFJJ09-02.

24. Molecular Dynamics Simulation of Typical Explosives, National Key Lab. on Explosive Science and Technology, 2012-2014, Project Leader, Project No. KFJJ12-02.

25. Drug Discovery Technology Based on Effective Components and Multi-Targets, Ph.D. Research Funds, Ministry of Education, Project Leader, 2012-2014, project No.: 20120073110057.

26. Biophysics Joint Lab., Shanghai Bureau of Experts, 2012-2013, Project Leader.

27. Funding For International Journal of  “985” Third Phase, Shanghai Jiaotong University, 2013-2014, Project Leader.

28. Publishing Funding for “Molecular Simulation and Computer Aided Drug Design”, National Publishing Funds, 2012-2013, Project Leader.

29. Major Foreign High Level Expert Funding, National Expert Bureau, 2011-2013, Project Leader.

30. Conference Grant for the International Conference on Computational and System Biology(ICCSB, 2009),  Shanghai, China, Oct. 11-13, National Science Foundation.

31. Design and Screening of Leading Compounds for Anti-Alzheimer Disease, and Relevant Theoretical Studies, National Science Foundation, 2009-2011, project leader, project No 30870476.

32. Theoretical and Computational Method and its Application of Chemical Reactions in Complex Environments, National Science Foundation, 2008-2010, project leader, project No. 20773085.

33. National Comprehensive Technology Platforms For Innovative Drug R&D, as an PI, 2009-2010, Project No. 2009ZX9301-007.

34. Conference Grant for the Theory and Application of Computational Chemistry(TACC 2008),  Shanghai, China, Sept. 23-27, National Science Foundation, project leader, project No. 20810302012, 2008.

35. Conference Grant for the IEEE Bioformatics and Biomedical Engineering, Shanghai, China, May 16-18, National Science Foundation, project leader, 2008.

36. Funding for International Journals by “985” funds from Jiaodatong University, project leader, 2008.

37. Study on the aggregation mechanism of amyloid fibre, National Science Foundation, 2008-2011, PI, project No. 30770502.

38. Theoretical Studies of The HMX Explosives, Chinese Academy of Engineering Physics and also National Key Lab. on Explosives, 2007-2009, project leader.

39. The New Approach in Drug Design, Discoveries and Optimization of New Antibiotics Drugs, 2003-2005, Major Grant, The Tianjin Commission of Science and Technology, project leader, Project No. 033801911.

40. Discoveries and Optimization of General Anti-viruse Drugs Based on Traditional Chinese Medecine Database, Major and Priority Grant from The Tianjin Commission of Science and Technology, project leader, Project No. 043185111-4, 2004-2006.

41. Design, Screening, Synthesis and Optimization of Inhibitors Against SARS, The Tianjin Commission of Education, project leader, Project No. 20030001, 2004-2006.

42. 3-D Structure Determination Using Bioinformatics, The Tianjin Commission of Science and Technology, project leader, Project No. 023618211, 2002-2005.

43. Ab Initio Molecular Dynamics Simulation of Energetic Liquids, Chinese National Science Foudation, project leader, Project No. 10376024, 2004-2006.

44. Unified Hydrophobic and Hydrophilic Potential and Its Application in The Drug Design, Chinese National Science Foudation, PI,  Project No. 20373048, 2004-2006.

 

International Exchange Funding From Shanghai Jiaotong University

 

The Grand Master Awards and Honorary Professorship on behalf of the following leading scientists:

 

2007, Timothy A. Springer, Harvard University, Fellow of American Academy of Sciences

Gert Lubec, Vienna Medical University, Fellow of UK Academy of Sciences

2008,   Martin Karplus, Harvard University, Fellow of American Academy of Sciences  

 Rudolph A. Marcus,Cal. Tech, 1992 Nobel Prize in Chemistry

2010,   Dennis SalahubUniv. of Calgary, Fellow of Canadian Royal Society

    Luc MontagnierPasteur Institute, 2008 Nobel Prize in Medicine and Physiology

 

Oversea Outstanding Scholars

2010, Kuo-Chen Chou,  Gordon Life Science Institute, USranked No. 1 in terms of hot papers

 Heping Zhang, Yale University, Enrico Clemmenti, Italy

 

Awards

1. The second class award of the Chinese Computer Federation, 2018.

2. The second class award of Chinese Medical Society, 2017.

3. The first class award of Scientific and Technological Advancement by Shanghai government, 2017.

4. The Outstanding Ph.D. Supervisor by the Shanghai Education Commission, 2016.

5. The Science and Technology Award of Shanghai Jiaotong University, 2013.

6. 横山亮次(Yokoyama Ryōji) Awards,  2011.

7. The Fifth MMPH Research Award, 2009

8. 2nd Prize of Scientific Advancement by CAMP, 2012 due to Screening and Drug Binding Mechanism of Anti-AIDS Drugs.

9. 2nd Prize, Excellent Undergraduate Textbook Award, Shanghai Jiaotong University, “Molecular Simulation and Computer Aided Drug Design”, 2015.

10. 2011-2012 Excellent Teacher, Shanghai Jiaotong Univresity

11. Nominated for the 10 Most Important Scientific Advancement 2010-2011, Ministry of Education.

12. Nominated for the Achievement in Asia Award (Robert T. Poe Prize)

13. Research Council UK for China Summer School Competition

14. Award from K.C.WONG EDUCATION FOUNDATION, Hong Kong for international conferences

15. Shanghai Mengminwei Award for 2009.

16. Shanghai Mengminwei Award for 2008.

17. 2012 “Authors Contributed the Most” to the Chinese Science Bulletin.

18. The best paper award of 2006(the first time) by <Acta Pharmaceutica Sinica> for “HIV Inhibitor Screening Based on The Traditional Chinese Medicines Database”, Acta Pharmaceutica Sinica, 41(3), 241-246(2006)(Figure was placed on the cover of the issue).

19. Shanghai Baiyulan Award for 2009.

20. Shanghai Baiyulan Award for 2006.

21. Shanghai Mengminwei Award for 2006.

22. Honourable Mention for poster titled: "Ab Initio Molecular Dynamics Simulations of Molecular Collisions of Nitromethane", at the 12th Biennial International Conference of the APS Topical Group on Shock Compression of Condensed Matter, Atlanta, June 2001.  

 

Major Awards received by students

1. The best thesis award for undergraduate students, Beijing University to Li Lin, July, 2007.

2. The Morgan Stanley Award administrated by the Shanghai Jiaotong University to Li Lin, Oct. 2007.

3. The national first prize of mathematics modeling to students Liang Jianyi and Shang Yuan, Nov. 2007.

4. The National Awards For the Excellent Graduate Students awarded to Gu Ruoxiu, Dec. 2008, The DuPont Award For Gradauate Students, awarded to Gu Hui, Dec. 2008.

5. The National Awards For the Excellent Graduate Students awarded to Li Li, Dec. 2010, The Jienengke 3rd Prize For Gradauate Students, awarded to Chen Qi, Dec. 2009.

6. The Qiushi graduate student awards to Lian Peng, The Jienengke 2nd prize for Wang Ying,  The Jenengke 3rd Prize for Li Li, Oct. 2011.

7. Mulan 1st Prize awarded to Gu Ruoxu, Guanghua 1st Prize to Chen Qi, Jienengke 2nd to Lian Peng, Jienengke 3rd to Li Li, Oct. 2012.

8.  2013 Shangjai Jiaotong University-AMD High Performance Computational Awards to YukunWang.

9.     The Outstanding Ph.D. Student to Ruoxu Gu by the Shanghai Educational Commission, 2016.

10.   The Globalink Research Award to post-doc, Dr. Satyavani Kaliamurthi by the Mitacs(a national, not-for-profit organization in Canada), 2019.

 

Patents  

1. Dong-Qing Wei, K.C. Chou, Yiru Gan and Qishi Du, “A Polypeptide and Its Derivatives as Inhibitors Against SARS”, Patent No: CN 200410018679.3, 2005-01-05.

2.  Dong-Qing Wei and Yu-Kun Ma,Chemical synthetic methods for potential preventive and anti Alzheimer Disease- wgx50wgx51wgx52wgx180”,Patent No. ZL 2011 1 0439656.X

 

Software Copy Rights

1. Molecule search software based on Maccskey V1.0, 2009SR030823, 2009.08.05

2. Database of small molecules from national products or Traditional Medicines, 2009SR042815, 2009.09.27.

3. Drug metabolism prediction software based on neural networks V1.0, 2009SR056211, 2009.12.02.

4. SNPs prediction software of CYP 450 based on SVM V1.0, 2010SR019961, 2010.05.01.

5. DNA binding sites based on protein properties,  2010R11L055771, 2010.08.09.

6. Drug metabolism prediction software based on SVM, 2010R11L055833, 2010.08.09.

7. Software obtaining the active sites of proteins,  2010R11L055755, 2010.08.09.

8. Software searching the active sites of proteins based on the Convex Hull, 2010R11L055766, 2010.08.09.

9. The database processing software to predict the  SNPs based on sequences, 2010R11L055742, 2010.08.09.

10. Molecule finger-print search software based on drug molecule database, V1.0, 2010SR042160, 2010.08.18.

11. Databases of SNPs and enzymatic properties  of CYP450 enzymes  V1.0, 2010SR042161, 2010.08.18.

12. Database of drugs-targets and screening platform based on networks V1.0, 2010SR042163, 2010.08.18.

13. deMon Gui, V1.0, 2012SR090355.