A MOLECULAR-DYNAMICS STUDY OF THE STRUCTURE AND DYNAMICS OF WATER BETWEEN DILAUROYLPHOSPHATIDYLETHANOLAMINE BILAYERS

被引：109

作者：

RAGHAVAN, K ^{[1
]}

REDDY, MR ^{[1
]}

BERKOWITZ, ML ^{[1
]}

机构：

[1] UNIV N CAROLINA,DEPT CHEM,CHAPEL HILL,NC 27599

来源：

LANGMUIR | 1992年 / 8卷 / 01期

关键词：

D O I：

10.1021/la00037a043

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We report the results from a molecular dynamics study of water between dilauroylphosphatidylethanolamine (DLPE) bilayers. The simulations were carried out with the head groups of DLPE treated as flexible as well as rigid. We studied the orientational properties of the phospholipid head groups and of water, hydrogen bonding, and polarization of water between the molecular surfaces. The simulations show that the thermal motion of the polar head groups has no influence on the orientational polarization of water but has a large influence on the dynamics of the intersurface water.

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页码：233 / 240

页数：8

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