"Alternative approaches to potential of mean force calculations: Free ..."

Christophe Chipot, Peter A. Kollman, David A. Pearlman (1996)

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DOI: 10.1002/(SICI)1096-987X(19960715)17:9<1112::AID-JCC4>3.0.CO;2-V

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type: Journal Article

metadata version: 2020-04-01

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Christophe Chipot, Peter A. Kollman, David A. Pearlman:
Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions. J. Comput. Chem. 17(9): 1112-1131 (1996)

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