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GPU-Based Massive Parallel Kawasaki Kinetics in the Dynamic Monte Carlo Simulations of Lipid Nanodomains
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SYSNO ASEP 0384415 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title GPU-Based Massive Parallel Kawasaki Kinetics in the Dynamic Monte Carlo Simulations of Lipid Nanodomains Author(s) Lis, M. (PL)
Pintal, L. (PL)
Swiatek, J. (PL)
Cwiklik, Lukasz (UFCH-W) RID, ORCIDSource Title Journal of Chemical Theory and Computation . - : American Chemical Society - ISSN 1549-9618
Roč. 8, č. 11 (2012), s. 4758-4765Number of pages 8 s. Language eng - English Country US - United States Keywords phase separation ; lipid nanosomains ; cell membranes Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GBP208/12/G016 GA ČR - Czech Science Foundation (CSF) Institutional support UFCH-W - RVO:61388955 UT WOS 000311191900074 DOI 10.1021/ct300587w Annotation 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 × 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 900 × 900 sites to study the lateral lipid organization in complex lipid membranes. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2013
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