Items where Author is "Behara, Pavan Kumar"

Journal Article

Horton, Joshua T. and Boothroyd, Simon and Wagner, Jeffrey and Mitchell, Joshua A. and Gokey, Trevor and Dotson, David L. and Behara, Pavan Kumar and Ramaswamy, Venkata Krishnan and Mackey, Mark and Chodera, John D. and Anwar, Jamshed and Mobley, David L. and Cole, Daniel J. (2022) Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale. Journal of Chemical Information and Modeling, 62 (22). pp. 5622-5633. ISSN 1549-9596