Conformational analysis of replica exchange MD: Temperature-dependent Markov networks for FF amyloid peptides

Recent molecular modeling methods using Markovian descriptions of conformational states of biomolecular systems have led to powerful analysis frameworks that can accurately describe their complex dynamical behavior. In conjunction with enhanced sampling methods, such as replica exchange molecular dy...

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Detalhes bibliográficos
Publicado no:J Chem Phys
Main Authors: Narayan, Brajesh, Herbert, Colm, Yuan, Ye, Rodriguez, Brian J., Brooks, Bernard R., Buchete, Nicolae-Viorel
Formato: Artigo
Idioma:Inglês
Publicado em: AIP Publishing LLC 2018
Assuntos:
Special Topic: Enhanced Sampling for Molecular Systems
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6014849/
https://ncbi.nlm.nih.gov/pubmed/30134732
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5027580
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