John Z.H. Zhang
John Z.H. Zhang
ECNU and NYU at Shanghai
Verified email at - Homepage
Cited by
Cited by
End-point binding free energy calculation with MM/PBSA and MM/GBSA: strategies and applications in drug design
E Wang, H Sun, J Wang, Z Wang, H Liu, JZH Zhang, T Hou
Chemical reviews 119 (16), 9478-9508, 2019
Molecular fractionation with conjugate caps for full quantum mechanical calculation of protein–molecule interaction energy
DW Zhang, JZH Zhang
The Journal of chemical physics 119 (7), 3599-3605, 2003
Full‐dimensional time‐dependent treatment for diatom–diatom reactions: The H2+OH reaction
DH Zhang, JZH Zhang
The Journal of chemical physics 101 (2), 1146-1156, 1994
Quantum reactive scattering via the S‐matrix version of the Kohn variational principle: Differential and integral cross sections for D+H2 →HD+H
JZH Zhang, WH Miller
The Journal of chemical physics 91 (3), 1528-1547, 1989
Interaction entropy: A new paradigm for highly efficient and reliable computation of protein–ligand binding free energy
L Duan, X Liu, JZH Zhang
Journal of the American Chemical Society 138 (17), 5722-5728, 2016
Quantum reactive scattering with a deep well: Time‐dependent calculation for H+O2 reaction and bound state characterization for HO2
DH Zhang, JZH Zhang
The Journal of chemical physics 101 (5), 3671-3678, 1994
Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches
H Sun, L Duan, F Chen, H Liu, Z Wang, P Pan, F Zhu, JZH Zhang, T Hou
Physical Chemistry Chemical Physics 20 (21), 14450-14460, 2018
Computational protein design with deep learning neural networks
J Wang, H Cao, JZH Zhang, Y Qi
Scientific reports 8 (1), 1-9, 2018
Quantum scattering via the S‐matrix version of the Kohn variational principle
JZH Zhang, SI Chu, WH Miller
The Journal of chemical physics 88 (10), 6233-6239, 1988
Discovery of small-molecule HIV-1 fusion and integrase inhibitors oleuropein and hydroxytyrosol: Part I. Integrase inhibition
S Lee-Huang, PL Huang, D Zhang, JW Lee, J Bao, Y Sun, YT Chang, ...
Biochemical and biophysical research communications 354 (4), 872-878, 2007
Accurate quantum calculation for the benchmark reaction H2+OH→H2O +H in five‐dimensional space: Reaction probabilities for J=0
DH Zhang, JZH Zhang
The Journal of chemical physics 99 (7), 5615-5618, 1993
Fragment quantum mechanical calculation of proteins and its applications
X He, T Zhu, X Wang, J Liu, JZH Zhang
Accounts of chemical research 47 (9), 2748-2757, 2014
Developing polarized protein-specific charges for protein dynamics: MD free energy calculation of pKa shifts for Asp26/Asp20 in thioredoxin
C Ji, Y Mei, JZH Zhang
Biophysical journal 95 (3), 1080-1088, 2008
DeepDDG: predicting the stability change of protein point mutations using neural networks
H Cao, J Wang, L He, Y Qi, JZ Zhang
Journal of chemical information and modeling 59 (4), 1508-1514, 2019
Accurate quantum calculations for H2+OH→H2O+H: Reaction probabilities, cross sections, and rate constants
DH Zhang, JZH Zhang
The Journal of chemical physics 100 (4), 2697-2706, 1994
Exact full‐dimensional bound state calculations for (HF)2, (DF)2, and HFDF
DH Zhang, Q Wu, JZH Zhang, M Von Dirke, Z Bačić
The Journal of chemical physics 102 (6), 2315-2325, 1995
Development of accurate quantum dynamical methods for tetraatomic reactions
JZH Zhang, J Dai, W Zhu
The Journal of Physical Chemistry A 101 (15), 2746-2754, 1997
. SCRIPTL. 2 solution of the quantum mechanical reactive scattering problem. The threshold energy for D+ H2 (v= 1). fwdarw. HD+ H
K Haug, DW Schwenke, Y Shima, DG Truhlar, J Zhang, DJ Kouri
The Journal of Physical Chemistry 90 (26), 6757-6759, 1986
Global dynamics and transition state theories: comparative study of reaction rate constants for gas‐phase chemical reactions
LP Ju, KL Han, JZH Zhang
Journal of computational chemistry 30 (2), 305-316, 2009
A new method for direct calculation of total energy of protein
X He, JZH Zhang
The Journal of chemical physics 122 (3), 2005
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