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.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 37(2016), 29 vom: 05. Nov., Seite 2597-605
1. Verfasser: Graf, Michael M H (VerfasserIn)
Weitere Verfasser: Maurer, Manuela, Oostenbrink, Chris
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2016
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't GROMOS free-energy calculations one-step perturbation replica exchange thermodynamic integration
Online verfügbar Volltext