Folding of the GB1 hairpin peptide from discrete path sampling

被引：127

作者：

Evans, DA ^{[1
]}

Wales, DJ ^{[1
]}

机构：

[1] Univ Chem Labs, Cambridge CB2 1EW, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 2004年 / 121卷 / 02期

关键词：

D O I：

10.1063/1.1759317

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：

The discrete path sampling technique is used to calculate folding pathways of the 16-amino acid beta hairpin-forming sequence from residues 41-56 of the B1 domain of protein G. The folding time is obtained using master equation dynamics and kinetic Monte Carlo simulations, and the time evolution of different order parameters and occupation probabilities of groups of minima are calculated and used to characterize intermediates on the folding pathway. (C) 2004 American Institute of Physics.

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页码：1080 / 1090

页数：11

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