Simulation of A Bilayer Imitating the Inner Mitochondrial Membrane Using Coarse-Grained Molecular Dynamics

被引:1
作者
Korotkova, P. D. [1 ]
Yurchenko, A. A. [2 ]
Timofeev, V. I. [3 ,4 ]
Gusel'nikova, A. R. [2 ]
Shumm, A. B. [1 ,5 ]
Vladimirov, Y. A. [1 ,2 ,3 ]
机构
[1] Lomonosov Moscow State Univ, Moscow 119991, Russia
[2] Pirogov Russian Natl Res Med Univ, Moscow 117997, Russia
[3] Russian Acad Sci, Shubnikov Inst Crystallog, Moscow 119333, Russia
[4] Natl Res Ctr, Kurchatov Inst, Moscow 123182, Russia
[5] Russian Acad Sci, Lebedev Phys Inst, Moscow 119991, Russia
来源
JOURNAL OF SURFACE INVESTIGATION | 2021年 / 15卷 / 04期
基金
俄罗斯科学基金会;
关键词
molecular dynamics; dilinoleoyl phosphatidylcholine; coarse-grained model; FORCE-FIELD;
D O I
10.1134/S1027451021040091
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
In a time interval of 10 mu s, a system containing 128 molecules of dilinoleoyl phosphatidylcholine and water molecules as a solvent is modeled by the molecular dynamics method using the coarse-grained approach. The structure of the phospholipid bilayer, stable for 10 mu s, is obtained.
引用
收藏
页码:652 / 654
页数:3
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