Protein-folding simulations in generalized ensembles

被引：14

作者：

Hansmann, UHE ^{[1
]}

机构：

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

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2002年 / 90卷 / 4-5期

关键词：

generalized-ensemble simulations; helix-coil transition; structure prediction; protein-folding problem;

D O I：

10.1002/qua.10352

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We demonstrate that modern simulation techniques such as the generalized-ensemble approach allow one to study secondary structure formation and folding in peptides and small proteins, Two systems are investigated. For the simple artificial peptide, Ala(10)-Gly(5)-Ala(10), we research the relation between helix formation and folding. The 36-residue villin headpiece peptide HP-36 is used to study the structure prediction of proteins with our techniques. (C) 2002 Wiley Periodicals, Inc.

引用

页码：1515 / 1521

页数：7

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