Recent development in computer simulations of lipid bilayers

被引:118
|
作者
Lyubartsev, Alexander P. [1 ]
Rabinovich, Alexander L. [2 ]
机构
[1] Stockholm Univ, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden
[2] Russian Acad Sci, Karelian Res Ctr, Lab Biochem, Inst Biol, Petrozavodsk 185910, Russia
基金
瑞典研究理事会; 俄罗斯基础研究基金会;
关键词
MOLECULAR-DYNAMICS SIMULATIONS; POLYUNSATURATED FATTY-ACIDS; COARSE-GRAINED MODEL; DIPALMITOYL PHOSPHATIDYLCHOLINE BILAYER; ISOTROPIC PERIODIC SUM; MECHANICS FORCE-FIELD; PHOSPHOLIPID-BILAYERS; DOCOSAHEXAENOIC-ACID; X-RAY; PHYSICAL-PROPERTIES;
D O I
10.1039/c0sm00457j
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
Rapid development of computer power during the last decade has made molecular simulations of lipid bilayers feasible for many research groups, which, together with the growing general interest in investigations of these very important biological systems has lead to tremendous increase of the number of research on the computational modeling of lipid bilayers. In this review, we give account of the recent progress in computer simulations of lipid bilayers covering mainly the period of the last 5 years, and covering several selected subjects: development of the force fields for lipid bilayer simulations, studies of the role of lipid unsaturation, the effect of cholesterol and other inclusions on properties of the bilayer, and use of coarse-grained models.
引用
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页码:25 / 39
页数:15
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