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Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

Joshua T. Horton,Simon Boothroyd,Jeffrey Wagner,Joshua A. Mitchell,Trevor Gokey,David L. Dotson,Pavan Kumar Behara,Venkata Krishnan Ramaswamy,Mark Mackey,John D. Chodera,Jamshed Anwar,David L. Mobley,Daniel J. Cole

Zenodo (CERN European Organization for Nuclear Research)（2022）

Cited 24|Views29
Key words
Force Field
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