Effects of simple model solutes on water dynamics: Residence time analysis

被引：18
作者：
Bruge, F
Parisi, E
Fornili, SL
机构：
[1] UNIV PALERMO, DEPT PHYS, I-90123 PALERMO, ITALY
[2] CNR, IAIF, I-90123 PALERMO, ITALY
来源：
CHEMICAL PHYSICS LETTERS | 1996年 / 250卷 / 5-6期
关键词：
MOLECULAR-DYNAMICS; PAIR INTERACTIONS; LIQUID WATER; HYDRATION; SIMULATION; PROTEINS; SYSTEMS; SURFACE; BOND;
D O I：
10.1016/0009-2614(96)00038-3
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：
The water residence time around pairs of simple hydrophilic and hydrophobic solutes, kept immobilized to model groups on slowly diffusing macromolecules, has been investigated along 400 ps molecular dynamics simulations. Results show that the water mobility around one solute strongly depends on the polarity characteristics of the other solute of the pair.
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页码：443 / 449
页数：7
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