Jing Huang
dogmans.umaryland.edu
0000-0001-9639-2907
7 papers found
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Implementation and Validation of an OpenMM Plugin for the Deep Potential Representation of Potential Energy
Constant advance replicas method for locating minimum energy paths and transition states
Data science techniques in biomolecular force field development
TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile
Binding Energy and Free Energy of Calcium Ion to Calmodulin EF-Hands with the Drude Polarizable Force Field
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions
Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields
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