Efficient sampling of protein structures by model hopping

被引：66

作者：

Kwak, W ^{[1
]}

Hansmann, UHE ^{[1
]}

机构：

[1] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA

来源：

PHYSICAL REVIEW LETTERS | 2005年 / 95卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.95.138102

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We introduce a novel simulation method, model hopping, that enhances sampling of low-energy configurations in complex systems. The approach is illustrated for a protein-folding problem. Thermodynamic quantities of proteins with up to 46 residues are evaluated from all-atom simulations with this method.

引用

页数：4

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