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Machine-learned Molecular Mechanics Force Field for the Simulation of Protein-Ligand Systems and Beyond

Kenichiro Takaba,Iván Pulido,Pavan Kumar Behara,Chapin E. Cavender,Anika J. Friedman, Michael M. Henry,Hugo MacDermott Opeskin, Christopher R. Iacovella, Arnav M. Nagle, Alexander Matthew Payne,Michael R. Shirts,David L. Mobley,John D. Chodera,Yuanqing Wang

arXiv (Cornell University)（2023）

Cited 1|Views28
Key words
Molecular Docking,Force Field,Computational Chemistry
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