Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields

Markus K. Dahlgren, Patric Schyman, Julian Tirado-Rives, William L. Jorgensen. Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields. Journal of Chemical Information and Computer Sciences, 53(5):1191-1199, 2013. [doi]

Authors

Markus K. Dahlgren

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Patric Schyman

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Julian Tirado-Rives

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William L. Jorgensen

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