Dynamics of hierarchical folding on energy landscapes of hexapeptides

Yaakov Levy; Joshua Jortner; Oren M. Becker

doi:10.1063/1.1415444

Dynamics of hierarchical folding on energy landscapes of hexapeptides

Yaakov Levy, Joshua Jortner, Oren M. Becker

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	10533-10547
Number of pages	15
Journal	Journal of Chemical Physics
Volume	115
Issue number	22
DOIs	https://doi.org/10.1063/1.1415444
State	Published - 8 Dec 2001
Externally published	Yes

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Dynamics of hierarchical folding on energy landscapes of hexapeptides

Abstract

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