Computing conformational free energy differences in explicit solvent An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points

Computing conformational free energy differences in explicit solvent : An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points

© 2016 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 38(2017), 15 vom: 05. Juni, Seite 1198-1208
1. Verfasser: Harris, Robert C (VerfasserIn)
Weitere Verfasser: Deng, Nanjie, Levy, Ronald M, Ishizuka, Ryosuke, Matubayasi, Nobuyuki
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2017
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, N.I.H., Extramural Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. conformational changes distribution function energy representation molecular dynamics simulations solvation free energy Dipeptides mehr... Solvents beta-Cyclodextrins Water 059QF0KO0R alanylalanine 2867-20-1 betadex JV039JZZ3A
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