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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Vydáno v:J Chem Phys
Hlavní autoři: Narayan, Brajesh, Herbert, Colm, Yuan, Ye, Rodriguez, Brian J., Brooks, Bernard R., Buchete, Nicolae-Viorel
Médium: Artigo
Jazyk:Inglês
Vydáno: AIP Publishing LLC 2018
Témata:
Special Topic: Enhanced Sampling for Molecular Systems
On-line přístup: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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