Supersymmetric Langevin equation to explore free-energy landscapes.
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.
Mossa
Alessandro
A
Department of Chemistry, Rice University, 6100 Main Street, Houston, Texas 77005, USA.
Clementi
Cecilia
C