Sensitivity of molecular dynamics simulations of lipids to the size of theester carbon

Chandrasekhar I; van Gunsteren WF

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Sensitivity of molecular dynamics simulations of lipids to the size of theester carbon

机译：脂质分子动力学模拟对酯碳大小的敏感性

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The dependence of molecular dynamics simulations of lamellar lipid systems on the potential energy parameters is examined. The radius of the ester carbon has a remarkable effect on the square area per lipid chain in contrast to the polarity of the glycerol ester, which does not. As a test system we make use of double-layers of the neutral triacylglycerol, trioctanoin, in the gel or alpha -phase.

机译：研究了层状脂质系统的分子动力学模拟对势能参数的依赖性。与甘油酯的极性相反，酯碳的半径对每个脂质链的平方面积具有显着影响，而甘油酯的极性则没有。作为测试系统，我们在凝胶或α相中使用了双层中性三酰基甘油三辛酸。

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《Current Science: A Fortnightly Journal of Research》 |2001年第10期|共3页
作者
Chandrasekhar I; van Gunsteren WF;
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正文语种 eng
中图分类自然科学现状及发展;
关键词
Phase; Bilayers;

机译：相;双层;

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1. Sensitivity of molecular dynamics simulations of lipids to the size of theester carbon [J] . Chandrasekhar I, van Gunsteren WF Current Science: A Fortnightly Journal of Research . 2001,第10期

机译：脂质分子动力学模拟对酯碳大小的敏感性
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机译：磷脂酰胆碱双层分离的不对称NaCl和KCl溶液的分子动力学模拟：强Na +-脂质相互作用和有限尺寸效应诱导的电位下降和结构变化
7. Molecular Dynamics Simulations of Asymmetric NaCl and KCl Solutions Separated by Phosphatidylcholine Bilayers: Potential Drops and Structural Changes Induced by Strong Na+-Lipid Interactions and Finite Size Effects [O] . Lee, Sun-Joo, Song, Yuhua, Baker, Nathan A. 2008

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Sensitivity of molecular dynamics simulations of lipids to the size of theester carbon

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