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 | 542 | 2018 |
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 | 116 | 2017 |
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 | 75 | 2021 |
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 | 48 | 2021 |
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 | 38 | 2018 |
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 | 29 | 2021 |
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 | 22 | 2013 |
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 | 13 | 2023 |
BAMBOO: a predictive and transferable machine learning force field framework for liquid electrolyte development S Gong, Y Zhang, Z Mu, Z Pu, H Wang, Z Yu, M Chen, T Zheng, Z Wang, ... arXiv preprint arXiv:2404.07181, 2024 | 9 | 2024 |
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 | 9 | 2022 |
Data-driven parametrization of molecular mechanics force fields for expansive chemical space coverage T Zheng, A Wang, X Han, Y Xia, X Xu, J Zhan, Y Liu, Y Chen, Z Wang, ... Chemical Science, 2025 | 1 | 2025 |