First-order disorder-to-order transition in an isolated homopolymer model

被引：174

作者：

Zhou, YQ ^{[1
]}

Hall, CK ^{[1
]}

Karplus, M ^{[1
]}

机构：

[1] N CAROLINA STATE UNIV,DEPT CHEM ENGN,RALEIGH,NC 27695

来源：

PHYSICAL REVIEW LETTERS | 1996年 / 77卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.77.2822

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The thermodynamic behavior of an isolated freely jointed homonuclear square-well 64mer chain is studied by discontinuous molecular dynamics simulations. It is shown that there are three transitions that can be described as gas-liquid, liquid-solid, and solid-solid polymorphic transitions. The liquid-solid-like transition is a first-order (two-state) disorder-to-order transition. Implications of the results for protein folding are briefly discussed.

引用

页码：2822 / 2825

页数：4

共 34 条

[1]

ALLEN MP, 1987, COMPUTER SIMULATION, P348

[2] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].