"Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at ..."

Joshua T. Horton et al. (2022)

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DOI: 10.1021/ACS.JCIM.2C01153

access: open

type: Journal Article

metadata version: 2025-03-03

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  - https://dblp.org/rec/journals/jcisd/HortonBWMGDBRMC22
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:
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale. J. Chem. Inf. Model. 62(22): 5622-5633 (2022)

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