Dongqing Wei
Dongqing Wei
Professor of Bioinformatics/Computational Physics/Chemistry, Shanghai Jiaotong University
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Citata da
Citata da
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
Manipulating surface reactions in lithium–sulphur batteries using hybrid anode structures
C Huang, J Xiao, Y Shao, J Zheng, WD Bennett, D Lu, LV Saraf, ...
Nature communications 5 (1), 1-8, 2014
Orientational order in simple dipolar liquids: computer simulation of a ferroelectric nematic phase
D Wei, GN Patey
Physical review letters 68 (13), 2043, 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
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
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
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
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
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
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
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
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
Drug candidates from traditional chinese medicines
JF Wang, DQ Wei, KC Chou
Current Topics in Medicinal Chemistry 8 (18), 1656-1665, 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
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
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
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
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
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
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