Suivre
Zhi Wang
Zhi Wang
Department of Chemistry, Washington University in St. Louis
Adresse e-mail validée de wustl.edu
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Tinker 8: software tools for molecular design
JA Rackers, Z Wang, C Lu, ML Laury, L Lagardère, MJ Schnieders, ...
Journal of chemical theory and computation 14 (10), 5273-5289, 2018
5172018
Tinker‐OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs
M Harger, D Li, Z Wang, K Dalby, L Lagardère, JP Piquemal, J Ponder, ...
Journal of computational chemistry 38 (23), 2047-2055, 2017
1122017
Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems
O Adjoua, L Lagardère, LH Jolly, A Durocher, T Very, I Dupays, Z Wang, ...
Journal of chemical theory and computation 17 (4), 2034-2053, 2021
542021
Absolute binding free energies for the SAMPL6 cucurbit [8] uril host–guest challenge via the AMOEBA polarizable force field
ML Laury, Z Wang, AS Gordon, JW Ponder
Journal of computer-aided molecular design 32, 1087-1095, 2018
352018
Polarizable water potential derived from a model electron density
JA Rackers, RR Silva, Z Wang, JW Ponder
Journal of Chemical Theory and Computation 17 (11), 7056-7084, 2021
342021
AMOEBA binding free energies for the SAMPL7 TrimerTrip host–guest challenge
Y Shi, ML Laury, Z Wang, JW Ponder
Journal of computer-aided molecular design 35, 79-93, 2021
272021
Top-down fabrication of hematite mesocrystals with tunable morphologies
J Cai, S Chen, J Hu, Z Wang, Y Ma, L Qi
CrystEngComm 15 (32), 6284-6288, 2013
232013
Accurate Host–Guest Binding Free Energies Using the AMOEBA Polarizable Force Field
MKJ Chung, RJ Miller, B Novak, Z Wang, JW Ponder
Journal of Chemical Information and Modeling 63 (9), 2769-2782, 2023
72023
Classical Exchange Polarization: An Anisotropic Variable Polarizability Model
MKJ Chung, Z Wang, JA Rackers, JW Ponder
The Journal of Physical Chemistry B 126 (39), 7579-7594, 2022
52022
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