Using multistate free energy techniques
β
Mikolai Fajer; Robert V. Swift; J. Andrew McCammon
π
Article
π
2009
π
John Wiley and Sons
π
English
β 157 KB
## Abstract Replica exchange accelerated molecular dynamics (REXAMD) is a method that enhances conformational sampling while retaining at least one replica on the original potential, thus avoiding the statistical problems of exponential reweighting. In this article, we study three methods that can