Acceleration of biomolecular kinetics in Gaussian accelerated molecular dynamics

Miao, YL

Miao, YL (reprint author), Univ Kansas, Ctr Computat Biol, Lawrence, KS 66047 USA.; Miao, YL (reprint author), Univ Kansas, Dept Mol Biosci, Lawrence, KS 66047 USA.

JOURNAL OF CHEMICAL PHYSICS, 2018; 149 (7):

Abstract

Recent studies demonstrated that Gaussian accelerated molecular dynamics (GaMD) is a robust computational technique, which provides simultaneous uncon......

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