A Combined Metadynamics and Umbrella Sampling Method for the Calculation of Ion Permeation Free Energy Profiles

TitleA Combined Metadynamics and Umbrella Sampling Method for the Calculation of Ion Permeation Free Energy Profiles
Publication TypeJournal Article
Year of Publication2011
AuthorsZhang, Y, Voth, GA
JournalJ. Chem. Theor. Comp
Volume7
Pagination2277-2283
DOI10.1021/ct200100e