Free-energy calculations of residue mutations in a tripeptide using various methods to overcome inefficient sampling

Free-energy calculations of residue mutations in a tripeptide using various methods to overcome inefficient sampling

© 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 37(2016), 29 vom: 05. Nov., Seite 2597-605
Auteur principal: Graf, Michael M H (Auteur)
Autres auteurs: Maurer, Manuela, Oostenbrink, Chris
Format: Article en ligne
Langue:English
Publié: 2016
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't GROMOS free-energy calculations one-step perturbation replica exchange thermodynamic integration
Accès en ligne Volltext