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Improved dissipative particle dynamics simulations of lipid bilayers

机译:改进的脂质双层的耗散粒子动力学模拟

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The authors introduce a new parameterization for the dissipative particle dynamics simulations of lipid bilayers.In this parameterization,the conservative pairwise forces between beads of the same type in two different hydrophobic chains are chosen to be less repulsive than the water-water interaction,but the intrachain bead interactions are the same as the water-water interaction.For a certain range of parameters,the new bilayer can only be stretched up to 30% before it ruptures.Membrane tension,density profiles,and the in-plane lipid diffusion coefficient of the new bilayer are discussed in detail.They find two kinds of finite size effects that influence the membrane tension:lateral finite size effects,for which larger membranes rapture at a smaller stretch,and transverse finite size effects,for which tensionless bilayers are more compact in larger systems.These finite size effects become rather small when the simulation box is sufficiently large.
机译:作者为脂质双层的耗散粒子动力学模拟引入了新的参数化。在此参数化中,选择了两个不同疏水链中相同类型的珠之间的保守成对力,其排斥力小于水-水相互作用,但链内珠相互作用与水-水相互作用相同。对于一定范围的参数,新的双层膜在破裂前最多只能拉伸30%。膜的张力,密度分布和面内脂质扩散系数他们将发现两种影响膜张力的有限尺寸效应:侧向有限尺寸效应(横向较大尺寸的膜在较小拉伸时被提)和横向有限尺寸效应(无张力双层更紧凑)当较大的系统中时,这些有限尺寸的效果会变得很小。

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