Molecular dynamics study of phospholipid biomacromolecules using a coarse-grained model

被引：0

作者：

Glukhova, Olga E. ^{[1
]}

Kossovich, Elena L. ^{[1
]}

Kolesnikova, Anna S. ^{[1
]}

Menisheva, Liyana R. ^{[1
]}

机构：

[1] Saratov NG Chernyshevskii State Univ, Fed State Educ Inst Higher Profess Educ, Saratov, Russia

来源：

REPORTERS, MARKERS, DYES, NANOPARTICLES, AND MOLECULAR PROBES FOR BIOMEDICAL APPLICATIONS V | 2013年 / 8596卷

关键词：

phospholipid molecules; DPPC; structure; rigidity; rotaty mobility; molecular dynamics method; coarse-graned model; micelle; SIMULATIONS;

D O I：

10.1117/12.2003176

中图分类号：

R318 [生物医学工程];

学科分类号：

0831 ;

摘要：

We studied the phospholipid molecule structure, rigidity, rotary mobility and micelle aggregation process using a coarse-grained (CG) model. It was found that the phospholipid structure can be presented as a spring with a rigidity of 27.68 kN/m. The rotational frequency of such molecule equals to 0.9 GHz at the temperature of 293 K and increases up to 1.2 GHz at 309K. At the constant temperature the micelle aggregation time does not depend on number of interacting molecules. Along with the temperature increase, the aggregation time decreases. At lower temperatures the assembly process depends on distance between the adjacent molecules.

引用

页数：9

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