Ligand diffusion in proteins via enhanced sampling in molecular dynamics

Published 2017 View Full Article

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Title
Ligand diffusion in proteins via enhanced sampling in molecular dynamics
Authors
Keywords
Ligand diffusion, Biological transport, Molecular dynamics, Enhanced sampling, Reaction coordinates, Free energy
Journal
Physics of Life Reviews
Volume 22-23, Issue -, Pages 58-74
Publisher
Elsevier BV
Online
2017-04-01
DOI
10.1016/j.plrev.2017.03.003

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