Dynamics of hierarchical folding on energy landscapes of hexapeptides

Yaakov Levy, Joshua Jortner, Oren M. Becker

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

The interrelationship between "folding" kinetics and the corresponding multidimensional potential energy landscapes was explored for three alanine hexapeptides using the master equation approach. To help visualize the kinetics of the polypeptide, the time evolution of the probability density was projected onto the first two principal coordinates. As a result, the relative role of funnels, traps and "bottlenecks" that are likely to exist on complex molecular energy landscapes was clarified.

Original languageEnglish
Pages (from-to)10533-10547
Number of pages15
JournalJournal of Chemical Physics
Volume115
Issue number22
DOIs
StatePublished - 8 Dec 2001
Externally publishedYes

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