Comment on "Anti-cooperativity in hydrophobic interactions: A simulation study of spatial dependence of three-body effects and beyond" [J. Chem. Phys. 115, 1414 (2001)]

被引：17

作者：

Czaplewski, C ^{[1
]}

Rodziewicz-Motowidlo, S

Liwo, A

Ripoll, DR

Wawak, RJ

Scheraga, HA

机构：

[1] Cornell Univ, Baker Lab Chem & Chem Biol, Ithaca, NY 14853 USA

[2] Univ Gdansk, Fac Chem, PL-80952 Gdansk, Poland

[3] Cornell Theory Ctr, Ithaca, NY 14853 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2002年 / 116卷 / 06期

关键词：

D O I：

10.1063/1.1434994

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：

A study of the anti-cooperativity in hydrophobic interactions was conducted using molecular dynamics simulations. The study was conducted on a larger hydrophobic solute than methane in water, and included the spatial dependence of three-body effects. The simulations were conducted in a 28 Angstrom periodic box with the solute-solute distances upto 14 Angstrom. Results supported the cooperativity of hydrophobic interactions contrary to the theory proposed by Shimizu and Chan.

引用

页码：2665 / 2667

页数：3

共 4 条

[1] Molecular simulation study of cooperativity in hydrophobic association [J].

Czaplewski, C ;

Rodziewicz-Motowidlo, S ;

Liwo, A ;

Ripoll, DR ;

Wawak, RJ ;

Scheraga, HA .

PROTEIN SCIENCE, 2000, 9 (06) :1235-1245

[2]

CZAPLEWSKI C, IN PRESS INT J QUANT

[3] Temperature dependence of hydrophobic interactions: A mean force perspective, effects of water density, and nonadditivity of thermodynamic signatures [J].

Shimizu, S ;

Chan, HS .

JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (11) :4683-4700

[4] Anti-cooperativity in hydrophobic interactions: A simulation study of spatial dependence of three-body effects and beyond [J].

Shimizu, S ;

Chan, HS .

JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (03) :1414-1421

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