Finite-size scaling of helix-coil transitions in poly-alanine studied by multicanonical simulations

被引：79

作者：

Hansmann, UHE ^{[1
]}

Okamoto, Y

机构：

[1] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA

[2] Inst Mol Sci, Dept Theoret Studies, Okazaki, Aichi 4448585, Japan

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 110卷 / 02期

关键词：

D O I：

10.1063/1.478169

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 poly-alanine. Homopolymers of up to 30 amino acids were considered and various thermodynamic quantities as a function of temperature calculated. We study the nature of the observed helix-coil transition and present estimates for critical exponents. (C) 1999 American Institute of Physics. [S0021-9606(99)50702-2].

引用

页码：1267 / 1276

页数：10

共 39 条

[1] MULTICANONICAL ALGORITHMS FOR 1ST ORDER PHASE-TRANSITIONS [J].

BERG, BA ;

NEUHAUS, T .

PHYSICS LETTERS B, 1991, 267 (02) :249-253

[2]

Berg BA, 1997, MULTISCALE PHENOMENA AND THEIR SIMULATION, P137

[3] MONTE-CARLO SIMULATION OF A FIRST-ORDER TRANSITION FOR PROTEIN-FOLDING - COMMENT [J].

BERG, BA ;

HANSMANN, UHE ;

OKAMOTO, Y .

JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (07) :2236-2237

[4]

CHAKRABARTTY A, 1993, ACS SYM SER, V526, P166

[5] SIDE-CHAIN ENTROPY OPPOSES ALPHA-HELIX FORMATION BUT RATIONALIZES EXPERIMENTALLY DETERMINED HELIX-FORMING PROPENSITIES [J].

CREAMER, TP ;

ROSE, GD .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1992, 89 (13) :5937-5941

[6] A MOLECULAR-DYNAMICS SIMULATION OF POLYALANINE - AN ANALYSIS OF EQUILIBRIUM MOTIONS AND HELIX COIL TRANSITIONS [J].

DAGGETT, V ;

KOLLMAN, PA ;

KUNTZ, ID .

BIOPOLYMERS, 1991, 31 (09) :1115-1134

[7] NEW MONTE-CARLO TECHNIQUE FOR STUDYING PHASE-TRANSITIONS [J].

FERRENBERG, AM ;

SWENDSEN, RH .

PHYSICAL REVIEW LETTERS, 1988, 61 (23) :2635-2638

[8] SCALING THEORY FOR FINITE-SIZE EFFECTS IN CRITICAL REGION [J].

FISHER, ME ;

BARBER, MN .

PHYSICAL REVIEW LETTERS, 1972, 28 (23) :1516-&

[9]

FLOUDAS CA, IN PRESS DIMACS SERI

[10]

GROSBERG AY, 1994, STAT PHYSICS MACROMO

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