FIRST-ORDER DISORDER-TO-ORDER TRANSITION IN AN ISOLATED HOMOPOLYMER MODEL

Authors
ZHOU YQ HALL CK KARPLUS M
Citation
Yq. Zhou et al., FIRST-ORDER DISORDER-TO-ORDER TRANSITION IN AN ISOLATED HOMOPOLYMER MODEL, Physical review letters, 77(13), 1996, pp. 2822-2825
Citations number
34
Categorie Soggetti
Physics
Journal title
Physical review letters → ACNP
ISSN journal
00319007
Volume
77
Issue
13
Year of publication
1996
Pages
2822 - 2825
Database
ISI
SICI code
0031-9007(1996)77:13<2822:FDTIAI>2.0.ZU;2-3
Abstract
The thermodynamic behavior of an isolated freely jointed homonuclear s quare-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 tra nsitions. The liquid-solid-like transition is a first-order (two-state ) disorder-to-order transition. Implications of the results for protei n folding are briefly discussed.