MOLECULAR-DYNAMICS SIMULATION OF A HYDRATED PHOSPHOLIPID-BILAYER
MOLECULAR-DYNAMICS SIMULATION OF A HYDRATED PHOSPHOLIPID-BILAYER
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DOI：
10.1098/rstb.1994.0064
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发表时间：
1994-05-28
影响因子：
6.3
通讯作者：
RICHARDS, WG
中科院分区：
文献类型：
--
作者：
ESSEX, JW;HANN, MM;RICHARDS, WG
在分子动力学模拟的过程中研究了磷脂的水合双分子层1,2-二肉豆醇-sn-甘油-3-磷酸（DMPC）。仿真结果与实验结果的比较表明，两者基本吻合。给出了所有主要体系区域的数据，包括烃链、甘油区、脂质头基团和水合水分子。模拟表明，该模型可以扩展到研究更复杂的系统更大的生化兴趣，如膜结合蛋白。
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.