| 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 | 459 | 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 | 356 | 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 | 336 | 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 | 200 | 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 | 190 | 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 | 183 | 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 | 162 | 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 | 157 | 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 | 156* | 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 | 154 | 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 | 146 | 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 | 146 | 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 | 145 | 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 | 135 | 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 | 132 | 2020 |
| Drug candidates from traditional chinese medicines JF Wang, DQ Wei, KC Chou Current Topics in Medicinal Chemistry 8 (18), 1656-1665, 2008 | 132 | 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 | 132 | 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 | 131 | 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 | 126 | 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 | 120 | 2021 |
Abbas KhanShanghai Jiao Tong University在 sjtu.edu.cn 的电子邮件经过验证
