A New Monte Carlo Algorithm for Protein Folding

Details A New Monte Carlo Algorithm for Protein Folding A New Monte Carlo Algorithm for Protein Folding

1997-05-15

arxiv.org/abs/cond-mat/9705146v2

Phys. Rev. Lett. 80 (1998) 3149--3152

Physics

Condensed Matter

Statistical Mechanics

4 pages, Latex incl. 3 eps-figs., submitted to Phys. Rev. Lett., revised version with changes in the text

Scientific paper

10.1103/PhysRevLett.80.3149

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.

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