DeePMD-kit v2: A software package for deep potential models J Zeng, D Zhang, D Lu, P Mo, Z Li, Y Chen, M Rynik, L Huang, Z Li, S Shi, ... The Journal of Chemical Physics 159 (5), 2023 | 244 | 2023 |
Binding energy and free energy of calcium ion to calmodulin EF-hands with the drude polarizable force field Q Tan, Y Ding, Z Qiu, J Huang ACS Physical Chemistry Au 2 (2), 143-155, 2021 | 18 | 2021 |
Data science techniques in biomolecular force field development Y Ding, K Yu, J Huang Current Opinion in Structural Biology 78, 102502, 2023 | 12 | 2023 |
Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields Y Ding, Y Xu, C Qian, J Chen, J Zhu, H Huang, Y Shi, J Huang Journal of Computer-Aided Molecular Design, 1-15, 2020 | 10 | 2020 |
Implementation and validation of an openmm plugin for the deep potential representation of potential energy Y Ding, J Huang International Journal of Molecular Sciences 25 (3), 1448, 2024 | 5 | 2024 |
DP/MM: A Hybrid Model for Zinc–Protein Interactions in Molecular Dynamics Y Ding, J Huang The Journal of Physical Chemistry Letters 15 (2), 616-627, 2024 | 4 | 2024 |
Constant advance replicas method for locating minimum energy paths and transition states Z Song, Y Ding, J Huang Journal of Computational Chemistry 44 (26), 2042-2057, 2023 | 1 | 2023 |
Identifying the Most Probable Transition Path with Constant Advance Replicas Z Song, Y Xu, H Zhang, Y Ding, J Huang Journal of Chemical Theory and Computation 20 (22), 9857-9870, 2024 | | 2024 |