Helix Interactions in Membranes:  Lessons from Unrestrained Monte Carlo Simulations

We describe one of the first attempts at unrestrained modeling of self-association of α-helices in implicit heterogeneous membrane-mimic media. The computational approach is based on the Monte Carlo conformational search for peptides in dihedral angles space. The membrane is approximated by an effec...

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Veröffentlicht in:	Journal of chemical theory and computation 2005-11, Vol.1 (6), p.1252-1264
Hauptverfasser:	Vereshaga, Yana A, Volynsky, Pavel E, Nolde, Dmitry E, Arseniev, Alexander S, Efremov, Roman G
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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