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Proceedings Paper

Multiscale molecular modeling of tertiary supported lipid bilayers
Author(s): Holden T. Ranz; Roland Faller
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Paper Abstract

Ternary lipid bilayer systems assembled from mixtures of dipalmitoylphosphatidylcholine (DPPC), dioleoylphosphatidylcholine (DOPC), and cholesterol have been studied using coarse-grained molecular dynamics at biologically relevant temperatures (280 K to 310 K), which are between the chain melting temperatures of the pure lipid component. Free lipid bilayers were simulated using the MARTINI model (Stage I) and a variant with water-water interactions reduced to 76% (Stage II). The latter was subsequently used for preparing supported lipid bilayer simulations (Stage III). Clustering of like lipids was observed, but the simulation timescale did not yield larger phaseseparated domains.

Paper Details

Date Published: 20 August 2015
PDF: 6 pages
Proc. SPIE 9549, Physical Chemistry of Interfaces and Nanomaterials XIV, 95491L (20 August 2015); doi: 10.1117/12.2184486
Show Author Affiliations
Holden T. Ranz, Univ. of California, Davis (United States)
Roland Faller, Univ. of California, Davis (United States)


Published in SPIE Proceedings Vol. 9549:
Physical Chemistry of Interfaces and Nanomaterials XIV
Sophia C. Hayes; Eric R. Bittner, Editor(s)

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