MOLECULAR-DYNAMICS SIMULATION OF A HYDRATED PHOSPHOLIPID-BILAYER

被引：62

作者：

ESSEX, JW

HANN, MM

RICHARDS, WG

机构：

[1] UNIV OXFORD,OXFORD CTR MOLEC SCI,OXFORD OX1 3QZ,ENGLAND

[2] UNIV OXFORD,PHYS CHEM LAB,OXFORD OX1 3QZ,ENGLAND

[3] GLAXO GRP RES LTD,GREENFORD UB6 0HE,MIDDX,ENGLAND

来源：

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES B-BIOLOGICAL SCIENCES | 1994年 / 344卷 / 1309期

关键词：

D O I：

10.1098/rstb.1994.0064

中图分类号：

Q [生物科学];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

A hydrated bilayer of the phospholipid 1,2-dimyristoyl-sn-glycero-3-phosphorylc (DMPC) has been studied in the course of a molecular dynamics simulation. Comparison of the simulation results with experiment indicates that generally the two agree well. Data are presented concerning all the major system regions, including the hydrocarbon chains, the glycerol region, the lipid headgroups and the hydrating water molecules. The simulations suggest that this model can be extended to the study of more complex systems of greater biochemical interest, such as membrane bound proteins.

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页码：239 / 260

页数：22

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