GPU-Based Massive Parallel Kawasaki Kinetics in the Dynamic Monte Carlo Simulations of Lipid Nanodomains

被引:6
|
作者
Lis, Mateusz [2 ]
Pintal, Lukasz [2 ]
Swiatek, Jerzy [2 ]
Cwiklik, Lukasz [1 ,3 ]
机构
[1] Acad Sci Czech Republic, J Heyrovsky Inst Phys Chem, Vvi, CR-18223 Prague 8, Czech Republic
[2] Wroclaw Univ Technol, Fac Comp Sci & Management, Inst Informat, PL-50370 Wroclaw, Poland
[3] Acad Sci Czech Republic, Inst Organ Chem & Biochem, CR-16610 Prague 6, Czech Republic
关键词
PHASE-SEPARATION; DOMAIN FORMATION; CELL-MEMBRANES; BILAYERS; PHOSPHATIDYLCHOLINE; MIXTURES; THERMODYNAMICS;
D O I
10.1021/ct300587w
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Multicomponent lipid membranes in the liquid phase exhibit dynamic lateral heterogeneities which play an important role in specific cell membrane functions. A GPU-based parallel algorithm for two-dimensional lattice Dynamic Monte Carlo simulations of nanodomain formation in binary lipid membranes was developed and tested. Speedups of up to 50-times over CPU-based calculations were achieved, and simulations employing lattices of up to 1800 x 1800 sites were performed. The existence of large nonregular lipid domains of sizes up to 160 nm was demonstrated This reveals the necessity to employ lattices of at least similar to 900 x 900 sites to study the lateral lipid organization in complex lipid membranes.
引用
收藏
页码:4758 / 4765
页数:8
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