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APS » Journals » Phys. Rev. Lett. » Volume 80 » Issue 14
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Phys. Rev. Lett. 80, 3149–3152 (1998)

New Monte Carlo Algorithm for Protein Folding

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Helge Frauenkron1, Ugo Bastolla1, Erwin Gerstner1,2, Peter Grassberger1,2, and Walter Nadler1
1HLRZ c/o Forschungszentrum Jülich, D-52425 Jülich, Germany
2Physics Department, University of Wuppertal, D-42097 Wuppertal, Germany

Received 14 May 1997; published in the issue dated 6 April 1998

We demonstrate that the recently introduced pruned-enriched Rosenbluth method leads to extremely efficient algorithms for the folding of simple model proteins. We test them on several models for lattice heteropolymers, and compare the results to published Monte Carlo studies. In all cases our algorithms are faster than previous ones, and in several cases we find new minimal energy states. In addition, our algorithms give estimates for the partition sum at finite temperatures.

© 1998 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.80.3149
DOI:
10.1103/PhysRevLett.80.3149
PACS:
87.15.By, 02.70.Lq, 87.10.+e
 
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