Enhanced sampling techniques in biomolecular simulations

Published 2015 View Full Article

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Title
Enhanced sampling techniques in biomolecular simulations
Authors
Keywords
Molecular dynamics simulation, Alchemistic simulations, Parallel tempering, Metadynamics, Free energy surface, Drug design
Journal
BIOTECHNOLOGY ADVANCES
Volume 33, Issue 6, Pages 1130-1140
Publisher
Elsevier BV
Online
2014-12-06
DOI
10.1016/j.biotechadv.2014.11.011

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