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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Опубликовано в: :J Chem Phys
Главные авторы: Narayan, Brajesh, Herbert, Colm, Yuan, Ye, Rodriguez, Brian J., Brooks, Bernard R., Buchete, Nicolae-Viorel
Формат: Artigo
Язык:Inglês
Опубликовано: AIP Publishing LLC 2018
Предметы:
Special Topic: Enhanced Sampling for Molecular Systems
Online-ссылка: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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