Replica-exchange umbrella sampling combined with Gaussian accelerated molecular dynamics for free-energy calculation of biomolecules
Oshima, Hiraku, Re, Suyong, Sugita, YujiLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00761
Date:
September, 2019
File:
PDF, 942 KB
english, 2019