Discrete Nonlinear Schrodinger Equation and Polygonal Solitons with Applications to Collapsed Proteins

被引:55
|
作者
Molkenthin, Nora [1 ,2 ]
Hu, Shuangwei [1 ,2 ]
Niemi, Antti J. [1 ,2 ]
机构
[1] Univ Tours, CNRS, Lab Math & Phys Theor, UMR 6083, F-37200 Tours, France
[2] Uppsala Univ, Dept Phys & Astron, S-75108 Uppsala, Sweden
基金
瑞典研究理事会;
关键词
VILLIN HEADPIECE SUBDOMAIN; MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURES; SIMULATIONS;
D O I
10.1103/PhysRevLett.106.078102
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We introduce a novel generalization of the discrete nonlinear Schrodinger equation. It supports solitons that we utilize to model chiral polymers in the collapsed phase and, in particular, proteins in their native state. As an example we consider the villin headpiece HP35, an archetypal protein for testing both experimental and theoretical approaches to protein folding. We use its backbone as a template to explicitly construct a two-soliton configuration. Each of the two solitons describe well over 7.000 supersecondary structures of folded proteins in the Protein Data Bank with sub-angstrom accuracy suggesting that these solitons are common in nature.
引用
收藏
页数:4
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