Dongqing Wei
Dongqing Wei
Professor of Bioinformatics/Computational Physics/Chemistry, Shanghai Jiaotong University
Verified email at - Homepage
Cited by
Cited by
Binding mechanism of coronavirus main proteinase with ligands and its implication to drug design against SARS
KC Chou, DQ Wei, WZ Zhong
Biochemical and biophysical research communications 308 (1), 148-151, 2003
Orientational order in simple dipolar liquids: computer simulation of a ferroelectric nematic phase
D Wei, GN Patey
Physical review letters 68 (13), 2043, 1992
Higher infectivity of the SARS‐CoV‐2 new variants is associated with K417N/T, E484K, and N501Y mutants: an insight from structural data
A Khan, T Zia, M Suleman, T Khan, SS Ali, AA Abbasi, A Mohammad, ...
Journal of cellular physiology 236 (10), 7045-7057, 2021
Ferroelectric liquid-crystal and solid phases formed by strongly interacting dipolar soft spheres
D Wei, GN Patey
Physical Review A 46 (12), 7783, 1992
Virtual screening for SARS-CoV protease based on KZ7088 pharmacophore points
S Sirois, DQ Wei, Q Du, KC Chou
Journal of chemical information and computer sciences 44 (3), 1111-1122, 2004
Hydrated proton clusters and solvent effects on the proton transfer barrier: A density functional study
D Wei, DR Salahub
The Journal of chemical physics 101 (9), 7633-7642, 1994
DTI-CDF: a cascade deep forest model towards the prediction of drug-target interactions based on hybrid features
Y Chu, AC Kaushik, X Wang, W Wang, Y Zhang, X Shan, DR Salahub, ...
Briefings in Bioinformatics 22 (1), 451-462, 2021
Progress in computational approach to drug development against SARS
KC Chou, DQ Wei, QS Du, S Sirois, WZ Zhong
Current Medicinal Chemistry 13 (27), 3263-3270, 2006
3D structure modeling of cytochrome P450 2C19 and its implication for personalized drug design
JF Wang, DQ Wei, L Li, SY Zheng, YX Li, KC Chou
Biochemical and biophysical research communications 355 (2), 513-519, 2007
Current updates on computer aided protein modeling and designing
FI Khan, DQ Wei, KR Gu, MI Hassan, S Tabrez
International journal of biological macromolecules 85, 48-62, 2016
Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2—a molecular dynamic study
MT Khan, A Ali, Q Wang, M Irfan, A Khan, MT Zeb, YJ Zhang, ...
Journal of Biomolecular Structure and Dynamics 39 (10), 3627-3637, 2021
Hydrated proton clusters: Ab initio molecular dynamics simulation and simulated annealing
D Wei, DR Salahub
The Journal of chemical physics 106 (14), 6086-6094, 1997
Molecular modeling of two CYP2C19 SNPs and its implications for personalized drug design
DQ Wei, JF Wang, C Chen, Y Li, KC Chou
Protein and peptide letters 15 (1), 27-32, 2008
Insights from modeling the 3D structure of H5N1 influenza virus neuraminidase and its binding interactions with ligands
DQ Wei, QS Du, H Sun, KC Chou
Biochemical and biophysical research communications 344 (3), 1048-1055, 2006
Human intestinal defensin 5 inhibits SARS-CoV-2 invasion by cloaking ACE2
C Wang, S Wang, D Li, DQ Wei, J Zhao, J Wang
Gastroenterology 159 (3), 1145, 2020
Drug candidates from traditional chinese medicines
JF Wang, DQ Wei, KC Chou
Current Topics in Medicinal Chemistry 8 (18), 1656-1665, 2008
Molecular modeling and chemical modification for finding peptide inhibitor against severe acute respiratory syndrome coronavirus main proteinase
Q Du, S Wang, D Wei, S Sirois, KC Chou
Analytical Biochemistry 337 (2), 262-270, 2005
Immunoinformatics approaches to explore Helicobacter Pylori proteome (Virulence Factors) to design B and T cell multi-epitope subunit vaccine
M Khan, S Khan, A Ali, H Akbar, AM Sayaf, A Khan, DQ Wei
Scientific reports 9 (1), 13321, 2019
A combined density functional and molecular dynamics simulation of a quantum water molecule in aqueous solution
D Wei, DR Salahub
Chemical physics letters 224 (3-4), 291-296, 1994
Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity evasion …
MTJ Quimque, KIR Notarte, RAT Fernandez, MAO Mendoza, RAD Liman, ...
Journal of Biomolecular Structure and Dynamics 39 (12), 4316-4333, 2021
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