Side-chain and backbone ordering in a polypeptide

被引：8
|
作者：
Wei, Yanjie [1 ]
Nadler, Walter
Hansmann, Ulrich H. E.
机构：
[1] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA
[2] Forschungszentrum Julich, John Von Neumann Inst Comp, D-52425 Julich, Germany
来源：
JOURNAL OF CHEMICAL PHYSICS | 2006年 / 125卷 / 16期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1063/1.2364890
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 report results from multicanonical simulations of polyglutamic acid chains of length of ten residues. For this simple polypeptide we observe a decoupling of backbone and side-chain ordering in the folding process. While the details of the two transitions vary between the peptide in gas phase and in an implicit solvent, our results indicate that, independent of the specific surroundings, upon continuously lowering the temperature side-chain ordering occurs only after the backbone topology is completely formed. (c) 2006 American Institute of Physics.
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页数：5
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