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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Détails bibliographiques
Publié dans:J Chem Phys
Auteurs principaux: Narayan, Brajesh, Herbert, Colm, Yuan, Ye, Rodriguez, Brian J., Brooks, Bernard R., Buchete, Nicolae-Viorel
Format: Artigo
Langue:Inglês
Publié: AIP Publishing LLC 2018
Sujets:
Special Topic: Enhanced Sampling for Molecular Systems
Accès en ligne: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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