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"Fitting of Dihedral Terms in Classical Force Fields as an Analytic Linear ..."

Chad W. Hopkins, Adrian E. Roitberg (2014)

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DOI: 10.1021/CI500112W

access: closed

type: Journal Article

metadata version: 2020-03-06

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Chad W. Hopkins, Adrian E. Roitberg:
Fitting of Dihedral Terms in Classical Force Fields as an Analytic Linear Least-Squares Problem. J. Chem. Inf. Model. 54(7): 1978-1986 (2014)

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