Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale.
Joshua T. HortonSimon BoothroydJeffrey WagnerJoshua A. MitchellTrevor GokeyDavid L. DotsonPavan Kumar BeharaVenkata Krishnan RamaswamyMark MackeyJohn D. ChoderaJamshed AnwarDavid L. MobleyDaniel J. ColePublished in: J. Chem. Inf. Model. (2022)