Coarse-grain model for lipid bilayer self-assembly and dynamics: Multiparticle collision description of the solvent

Please use this identifier to cite or link to this item: https://ir.lib.ncu.edu.tw/handle/987654321/104241

Title:	Coarse-grain model for lipid bilayer self-assembly and dynamics: Multiparticle collision description of the solvent
Authors:	陳宣毅;Huang, Mu-Jie;Kapral, Raymond;Mikhailov, Alexander S;Chen, Hsuan-Yi
Contributors:	理學院物理學系
Keywords:	Lipid Bilayers - chemistry;Membrane Fluidity;Membranes - chemistry;Models, Chemical;Molecular Dynamics Simulation;Solvents - chemistry;Temperature;Thermodynamics
Date:	2012-08-07
Issue Date:	2026-04-23 11:46:17 (UTC+8)
Publisher:	American Institute of Physics;United States: AIP Publishing
Abstract:	摘要： A mesoscopic coarse-grain model for computationally efficient simulations of biomembranes is presented. It combines molecular dynamics simulations for the lipids, modeled as elastic chains of beads, with multiparticle collision dynamics for the solvent. Self-assembly of a membrane from a uniform mixture of lipids is observed. Simulations at different temperatures demonstrate that it reproduces the gel and liquid phases of lipid bilayers. Investigations of lipid diffusion in different phases reveals a crossover from subdiffusion to normal diffusion at long times. Macroscopic membrane properties, such as stretching and bending elastic moduli, are determined directly from the mesoscopic simulations. Velocity correlation functions for membrane flows are determined and analyzed. 其他題名： J Chem Phys 出版者： United States: AIP Publishing 出版日期： 2012-08-07 出處： The Journal of Chemical Physics, 2012-08, Vol.137 (5), p.055101 資源來源： AIP Journals (American Institute of Physics) 識別號： ISSN: 0021-9606 識別號： ISSN: 1089-7690 識別號： ISSN: 1520-9032 識別號： EISSN: 1089-7690 識別號： DOI: 10.1063/1.4736414 識別號： PMID: 22894383
Appears in Collections:	[Department of Physics] journal & Dissertation

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