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

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 38(2017), 15 vom: 05. Juni, Seite 1198-1208
Auteur principal: Harris, Robert C (Auteur)
Autres auteurs: Deng, Nanjie, Levy, Ronald M, Ishizuka, Ryosuke, Matubayasi, Nobuyuki
Format: Article en ligne
Langue:English
Publié: 2017
Accès à la collection:Journal of computational chemistry
Sujets: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 plus... Solvents beta-Cyclodextrins Water 059QF0KO0R alanylalanine 2867-20-1 betadex JV039JZZ3A
Accès en ligne Volltext