A New Monte Carlo Algorithm for Protein Folding
Statistical Mechanics
2009-10-30 v2 q-bio
Abstract
We demonstrate that the recently proposed pruned-enriched Rosenbluth method (P. Grassberger, Phys. Rev. E 56 (1997) 3682) leads to extremely efficient algorithms for the folding of simple model proteins. We test them on several models for lattice heteropolymers, and compare to published Monte Carlo studies. In all cases our algorithms are faster than all previous ones, and in several cases we find new minimal energy states. In addition to ground states, our algorithms give estimates for the partition sum at finite temperatures.
Cite
@article{arxiv.cond-mat/9705146,
title = {A New Monte Carlo Algorithm for Protein Folding},
author = {Helge Frauenkron and Ugo Bastolla and Erwin Gerstner and Peter Grassberger and Walter Nadler},
journal= {arXiv preprint arXiv:cond-mat/9705146},
year = {2009}
}
Comments
4 pages, Latex incl. 3 eps-figs., submitted to Phys. Rev. Lett., revised version with changes in the text