All-or-none proteinlike folding transition of a flexible homopolymer chain

被引：69

作者：

Taylor, Mark P. ^{[1
]}

Paul, Wolfgang ^{[2
]}

Binder, Kurt ^{[2
]}

机构：

[1] Hiram Coll, Dept Phys, Hiram, OH 44234 USA

[2] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany

来源：

PHYSICAL REVIEW E | 2009年 / 79卷 / 05期

基金：

美国国家科学基金会;

关键词：

molecular biophysics; proteins; thermodynamics; DENSITY-OF-STATES; COLLAPSE TRANSITION; THERMODYNAMICS; PRINCIPLES; SIMULATION; MOLECULES; MODELS;

D O I：

10.1103/PhysRevE.79.050801

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

Here we report a first-order all-or-none transition from an expanded coil to a compact crystallite for a flexible polymer chain. Wang-Landau sampling is used to construct the complete density of states for square-well chains up to length 256. Analysis within both the microcanonical and canonical ensembles shows a direct freezing transition for finite length chains with sufficiently short-range interactions. This type of transition is a distinctive feature of "one-step" protein folding and our findings demonstrate that a simple homopolymer model can exhibit protein-folding thermodynamics.

引用

页数：4

共 34 条

[21] Phase behavior of short-range square-well model [J].