"Free energy calculation methods: A theoretical and empirical comparison of ..."

Randall J. Radmer, Peter A. Kollman (1997)

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DOI: 10.1002/(SICI)1096-987X(199705)18:7<902::AID-JCC4>3.0.CO;2-V

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type: Journal Article

metadata version: 2020-04-01

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Randall J. Radmer, Peter A. Kollman:
Free energy calculation methods: A theoretical and empirical comparison of numerical errors and a new method qualitative estimates of free energy changes. J. Comput. Chem. 18(7): 902-919 (1997)

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