Supersymmetric Langevin equation to explore free-energy landscapes.

Phys Rev E Stat Nonlin Soft Matter Phys

Department of Chemistry, Rice University, 6100 Main Street, Houston, Texas 77005, USA.

Published: April 2007

The recently discovered supersymmetric generalizations of the Langevin dynamics and Kramers equation can be utilized for the exploration of free-energy landscapes of systems whose large time-scale separation hampers the usefulness of standard molecular dynamics techniques. The first realistic application is here presented. The system chosen is a minimalist model for a short alanine peptide exhibiting a helix-coil transition.

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http://dx.doi.org/10.1103/PhysRevE.75.046707DOI Listing

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