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

0384415 - ÚFCH JH 2013 RIV US eng J - Článek v odborném periodiku
Lis, M. - Pintal, L. - Swiatek, J. - Cwiklik, Lukasz
GPU-Based Massive Parallel Kawasaki Kinetics in the Dynamic Monte Carlo Simulations of Lipid Nanodomains.
Journal of Chemical Theory and Computation. Roč. 8, č. 11 (2012), s. 4758-4765. ISSN 1549-9618. E-ISSN 1549-9626
Grant CEP: GA ČR GBP208/12/G016
Institucionální podpora: RVO:61388955
Klíčová slova: phase separation * lipid nanosomains * cell membranes
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 5.389, rok: 2012

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.
Trvalý link: http://hdl.handle.net/11104/0215309