Dongqing Wei

Dongqing Wei





Prof. Wei’s research is in the general field of microbial metabolism, developing tools of molecular modeling, networks and various databases and applied them to study biological systems with relevance to computed aided drug design and structural biology with emphases on antiviral drugs and small molecule metabolism. Systematic studies were made for CYP450 enzymes and also signal regulation and peptide permeation mechanism of various membrane proteins with papers on JACS and other prestigious journals. Prof. published 150 journal papers, 9 monographs with 3200 SCI citations and a H factor of 36. Organized many international conferences as a Chair, and made 50 plenary and invited talks in national/international conferences.

Education Experience

1978.9 - 1982.1   B.S.,  Department of Chemistry, Normal University of Henan, Xinxiang, Henan, People's Republic of China,
1982.1 - 1985.1  M.S.,  Department of Chemistry, Normal University of Henan, Xinxiang, Henan, People's Republic of China,
1985.9 – 1987.7 Ph.D., Chemical Physics Program at the Department of Physics, University of Puerto Rico, Rio Piedras, Puerto Rico, USA,
1987.7 -1990.7  Post-doctorial Fellow, Department of Chemistry, University of British Columbia, Vancouver, B.C., Canada, with Gren Patey.

Work Experience

2006-      Professor and Deupty Hear  Department of Bioinformatics and Biostatistics, College of Life Sciences and Biotechnology, Shanghai Jiaotong University  
2003-2006   Haihe Professor     appointed by the City of Tianjin at Tianjin Normal University, Director General, Tianjin Institute of Bioinformatics and Drug Discoveries 
1999 - 2000  Professor of Chemistry  College of Chemistry and Molecular Engineering, Beijing University, Beijing, P.R. China
1993 – 2006  Research  Scientist   Centre de Recherché en Calcul Applique, Montreal, Quebec affiliated with McGill Univresity
1990 – 1992  Research Associate   Department of Chemistry, University of British Columbia, Vancouver, B.C., Canada


The Fifth Jiao Shanqing MMPH Research Award
Yokoyama Ryōji Awards at Shanghai Jiaotong University, 2011.
Haihe Professor of Tianjin
Chairman of International Association of Scientists in The Interdisciplinary Areas(IASIA)
Editor-in-Chief, “Interdisciplinary Sciences - Computational Life Sciences”; 
One of  the Managing Editors: “J. Atomic and Molecular Sciences”;
Executive Editor, “Journal of Bioinformatics and Diabetes”;
Guest Editor,  “Current Drug Metabolism”, “Current Topics in Medicinal Chemistry”;

Editorial Board of more than 10 journals, such as, “Molecular Simulation”, “Journal of Molecular Modeling and Graphics” 


1.    Structural Bioinformatics

2.    Biostatistics

3.       Biophysics

1. 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).
2. 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).
3. 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).
4. 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).
5. Yukun Wang, Dan Hu* and Dong-Qing Wei*, “Transmembrane Permeation Mechanism of Charged Methyl Guanidine”, J. Chem. Theory Comput., 10 (4), 1717–1726(2014).
6. 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 – Biomembranes, 1838(9), 2280–2288(2014).
7. Huai-Meng Fan, Ruo-Xu Gu, Yun-Long Pi, Yan-Jing Wang,Yonghong Zhang, Qin 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).
8. 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”. Journal of Chemical Theory and Computation 12,4959-4969(2016).
9. 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 10. 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; 11(1)., DOI:10.1186/s13023-016-0531-y.


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