Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms

Published 2016 View Full Article

Authors

Keywords

Generalized Born (GB) model, Generalized-ensemble algorithm, Replica-exchange molecular dynamics (REMD), Replica-exchange umbrella sampling (REUS), Surface-tension REMD, Replica exchange with solute tempering (REST)

Journal

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Volume 1858, Issue 7, Pages 1635-1651

Publisher

Elsevier BV

Online

2016-01-05

DOI

10.1016/j.bbamem.2015.12.032

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