New Monte Carlo algorithm for protein folding

被引:79
作者
Frauenkron, H
Bastolla, U
Gerstner, E
Grassberger, P
Nadler, W
机构
[1] Forschungszentrum Julich, HLRZ, D-52425 Julich, Germany
[2] Univ Wuppertal, Dept Phys, D-42097 Wuppertal, Germany
关键词
D O I
10.1103/PhysRevLett.80.3149
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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 an 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.
引用
收藏
页码:3149 / 3152
页数:4
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