Biography

Prof. Dongqing Wei

Shanghai Jiao Tong University, China


Email: dqwei@sjtu.edu.cn


Qualifications


1985-1987 Ph.D., Chemical Physics Program, University of Puerto Rico, USA

1982-1985 M.S., Department of Chemistry, Normal University of Henan, China

1978-1982 B.S., Department of Chemistry, Normal University of Henan, China


Publications (Selected)

  1. IF: 9.02-Ruo-Xu Gu, Limin Angela Liu*, and Dong-Qing Wei*, “ Equilibrium of four binding states of anti-viral drug rimantadine in M2-lipid bilayer system”, J. Am. Chem. Soc.,133(28), 10817–10825(2011).
  2. IF: 7.33-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).
  3. .Cited 204 times, IF: 2.59 - K. C. Chou, D. Q. 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).
  4. Cited 197 times, IF: 7.33 - D.Q. Wei and G.N. Patey, “Orientational Order in Simple Dipolar Liquids: Computer Simulation of a Ferroelectric Nematic Phase”, Phys. Rev. Letter,68, 2043,(1992).
  5. Cited 118 times, IF: 2.92 - D.Q. 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).
  6. Cited 116 times, IF: 2.86 - D.Q. Wei and G.N. Patey, “Ferroelectric Liquid Crystal and Solid Phases Formed by Strongly Interacting Dipolar Spheres”, Phys. Rev., A,46, 7783, (1992).
  7. Cited 96 times, IF 3.88 - Suzanne Sirois, Dong-Qing Wei, Qishi Du, Kuo-Chen Chou, “Virtual Screening for SARS-CoV Protease Based on KZ7088 Pharmacophore Points”, J. Chem. Info. Comput. Sci.,44, 1111, 2004.
  8. Cited 93 times, IF: 2.92 - D.Q. Wei, D.R. Salahub, “Hydrated Proton Clusters: Ab Initio Molecular Dynamics and Simulated Annealing”, J. Chem. Phys.,106, 6086(1997).
  9. Cited 87 times, IF:9.02 - R.C. Dunbar, T.B., McMahon, D. Tholmann, D.S. Tonner, D.R. Salahub and D.Q. 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).
  10. Cited 80 times, IF: 2.92 - D.Q. 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).
  11. Cited 78 times, IF: 2.92 - L. Blum and D.Q. Wei, “Analytical Solution of the Mean Spherical Approximation for an arbitrary Mixture of Ions and a Dipolar solvent”, J. Chem. Phys.87, 555 (1987).
  12. Cited 75 times, IF: 2.59 – 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) .
  13. Cited 72 times, IF: 1.84- 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).
  14. Cited 71 times, IF:2.28 - D.Q. 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).
  15. Cited 66 times, IF: 2.59 - 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).
  16. Cited 61 times,IF:1.60 - Rui Zhang, Dongqing Wei*, Qishi Du and K.C. Chou, “Molecular Modeling Studies of Peptide Drug Candidates Against SARS”, Medicinal Chemistry,2, 309-314(2006).
  17. Cited 60 times, IF: 2.40 - D.Q. Wei and G.N. Patey, “Orientational Order in Simple Dipolar Liquids: Density Functional Theory and Absolute Stability Conditions”, Phys. Rev. E,47, 506(1993).
  18. Cited 56 times, IF: 3.23 - Qishi Du, Shuqing Wang, Dongqing 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).
  19. Cited 54 times, IF:2.92- D.Q. Wei and G. Patey, “Rotational Motion in Molecular Liquids”, J. Chem. Phys.91, 7113 (1989).
  20. Cited 52 times, IF: 2.28 - P. Attard, D.Q. 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).
  21. Cited 48 times, IF: 2.92 - Chandra, D.Q. Wei and G.N. Patey, “Microscopic theory of solvation dynamics in dipolar liquids”, J. Chem. Phys.,99, 4926(1993).
  22. Cited 47 times, IF: 2.59 - 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,3381059 (2005) .
  23. Cited 45 times, IF:1.60Weina Gao,Dong-Qing Wei*, Yun Li, Hui Gao, WeiRen Xu, Aixiu Li, Kuo-Chen Chou, “Studies of Agaritine and its Derivatives and Their Potential as Inhibitors of The HIV Proteases”, Medicinal Chem.,3, 221-226(2007).
  24. Cited 44 times, IF:1.60 - 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).
  25. Cited 43 times, IF:1.60 - Qishi Du, Shuqing Wang, Zhiqin Jiang, Weina Gao, Yun Li, Dongqing 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,1，209(2005).
  26. Cited 43 times, IF: 2.92 - Radu Iftimie, Dennis Salahub, D. Q. 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).
  27. Cited 41 times, IF: 2.92 - D.Q. 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).
  28. Cited 41 times, IF: 2.59 - 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).
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