Molecular dynamics study of the dipalmitoyl phosphatidylcholine bilayer in the liquid crystal phase: An effect of the potential force fields on the membrane structure.

被引：4

作者：

Shinoda, W ^{[1
]}

Okazaki, S ^{[1
]}

机构：

[1] Tokyo Inst Technol, Dept Elect Chem, Midori Ku, Yokohama, Kanagawa 2268502, Japan

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2001年 / 90卷 / 1-3期

关键词：

D O I：

10.1016/S0167-7322(01)00111-8

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：

In order to obtain a better description for the membrane area of a lipid bilayer, the potential parameter set OPLS, modified with respect to the interaction for the alkyl chain, was adopted for the present molecular dynamics simulation. A long-time and large-scale calculation based upon this modified potential presented a remarkable improvement of the membrane area for the dipalmitoyl phosphatidylcholine bilayer in the liquid crystal phase, showing a good agreement with experiment. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：95 / 103

页数：9

共 30 条

[1]

Allen M. P., 1987, Computer Simulation of Liquids

[2] NEUTRON-DIFFRACTION STUDIES ON SELECTIVELY DEUTERATED PHOSPHOLIPID BILAYERS [J].