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Simulations of the pressure and temperature unfolding of an α-helical peptide

We study by molecular simulations the reversible folding/unfolding equilibrium as a function of density and temperature of a solvated α-helical peptide. We use an extension of the replica exchange molecular dynamics method that allows for density and temperature Monte Carlo exchange moves. We studie...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Paschek, Dietmar, Gnanakaran, S., Garcia, Angel E.
Format: Artigo
Sprache:Inglês
Veröffentlicht: National Academy of Sciences 2005
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC1100754/
https://ncbi.nlm.nih.gov/pubmed/15800045
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0408527102
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