| 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 | 391* | 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 | 321 | 1992 |
| Ferroelectric liquid-crystal and solid phases formed by strongly interacting dipolar soft spheres D Wei, GN Patey Physical Review A 46 (12), 7783, 1992 | 187 | 1992 |
| 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 | 180 | 1994 |
| 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 | 166 | 2004 |
| 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 | 144* | 2007 |
| 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 | 142 | 2006 |
| 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 | 130 | 2008 |
| 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 | 129 | 1997 |
| 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 | 126 | 2006 |
| 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 | 124 | 1994 |
| Analytical solution of the mean spherical approximation for an arbitrary mixture of ions in a dipolar solvent L Blum, DQ Wei The Journal of chemical physics 87 (1), 555-565, 1987 | 124 | 1987 |
| Drug candidates from traditional chinese medicines JF Wang, DQ Wei, KC Chou Current Topics in Medicinal Chemistry 8 (18), 1656-1665, 2008 | 113 | 2008 |
| Zero-pressure thermal-radiation-induced dissociation of gas-phase cluster ions: comparison of theory and experiment for (H2O) 2Cl-and (H2O) 3Cl RC Dunbar, TB McMahon, D Thoelmann, DS Tonner, DR Salahub, D Wei Journal of the American Chemical Society 117 (51), 12819-12825, 1995 | 109 | 1995 |
| Molecular dynamics studies on the interactions of PTP1B with inhibitors: from the first phosphate-binding site to the second one JF Wang, K Gong, DQ Wei, YX Li, KC Chou Protein Engineering, Design & Selection 22 (6), 349-355, 2009 | 102 | 2009 |
| 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 | 96 | 2005 |
| Using a classical potential as an efficient importance function for sampling from an ab initio potential R Iftimie, D Salahub, D Wei, J Schofield The Journal of Chemical Physics 113 (12), 4852-4862, 2000 | 89 | 2000 |
| Dynamics of molecular liquids: A comparison of different theories with application to wave vector dependent dielectric relaxation and ion solvation D Wei, GN Patey The Journal of Chemical Physics 93 (2), 1399-1411, 1990 | 89 | 1990 |
| Structural and vibrational properties of solid nitromethane under high pressure by density functional theory H Liu, J Zhao, D Wei, Z Gong The Journal of chemical physics 124 (12), 124501, 2006 | 88 | 2006 |
| A photonic crystal-based CdS–Au–WO 3 heterostructure for efficient visible-light photocatalytic hydrogen and oxygen evolution X Cui, Y Wang, G Jiang, Z Zhao, C Xu, Y Wei, A Duan, J Liu, J Gao RSC Advances 4 (30), 15689-15694, 2014 | 86* | 2014 |
Jingfang WangAssociate Professor of Shanghai Center for Systems Biomedicine, Shanghai Jiao Tong UniversityVerified email at sjtu.edu.cn
