Hydrophobic effects and modeling of biophysical aqueous solution interfaces

被引:312
作者
Pratt, LR
Pohorille, A
机构
[1] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA
[2] NASA, Ames Res Ctr, Exobiol Branch, Moffett Field, CA 94035 USA
关键词
D O I
10.1021/cr000692+
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The past decade has seen compelling progress in the molecular theory of the most primitive of hydrophobic effects, those of submacromolecular scale. At the same time, substantial theory and modeling results had accumulated on hydrophobic effects associated with solution surfaces and macromolecules. This paper reviews the latter results from the perspective of the recent progress with small molecule problems.
引用
收藏
页码:2671 / 2691
页数:21
相关论文
共 284 条
[41]  
Cascales JJL, 1996, J CHEM PHYS, V104, P2713, DOI 10.1063/1.470992
[42]   Molecular dynamics simulations of CCl4-H2O liquid-liquid interface with polarizable potential models [J].
Chang, TM ;
Dang, LX .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (17) :6772-6783
[43]  
Chau PL, 1996, MOL PHYS, V89, P1033, DOI 10.1080/00268979609482522
[44]   Development of polarizable water force fields for phase equilibrium calculations [J].
Chen, B ;
Xing, JH ;
Siepmann, JI .
JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (10) :2391-2401
[45]  
Cheng YK, 1999, BIOPOLYMERS, V50, P742, DOI 10.1002/(SICI)1097-0282(199912)50:7<742::AID-BIP7>3.0.CO
[46]  
2-6
[47]   Surface topography dependence of biomolecular hydrophobic hydration [J].
Cheng, YK ;
Rossky, PJ .
NATURE, 1998, 392 (6677) :696-699
[48]   Interactions of anesthetics with the water-hexane interface. A molecular dynamics study [J].
Chipot, C ;
Wilson, MA ;
Pohorille, A .
JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (05) :782-791
[49]  
Chipot C, 1999, PROTEINS, V36, P383
[50]   Folding and translocation of the undecamer of poly-L-leucine across the water-hexane interface. A molecular dynamics study [J].
Chipot, C ;
Pohorille, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (46) :11912-11924