Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents.

Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents.

Steered Molecular Dynamics (SMD) has been seen to provide the potential of mean force (PMF) along a peptide unfolding pathway effectively but at significant computational cost, particularly in all-atom solvents. Adaptive steered molecular dynamics (ASMD) has been seen to provide a significant comput...

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Bibliographic Details
Main Authors: Hailey R Bureau, Dale R Merz, Eli Hershkovits, Stephen Quirk, Rigoberto Hernandez
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2015-01-01
Series:PLoS ONE
Online Access:http://europepmc.org/articles/PMC4430545?pdf=render

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