Ye Ding
0009-0005-1986-2879
Westlake University
7 papers found
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Implementation and Validation of an OpenMM Plugin for the Deep Potential Representation of Potential Energy
DP/MM: A Hybrid Model for Zinc-Protein Interactions in Molecular Dynamics
DeePMD-kit v2: A software package for deep potential models
Constant advance replicas method for locating minimum energy paths and transition states
Data science techniques in biomolecular force field development
Binding Energy and Free Energy of Calcium Ion to Calmodulin EF-Hands with the Drude Polarizable Force Field
Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields
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