A generic model for lipid monolayers, bilayers, and membranes

We describe a simple coarse-grained model which is suited to study lipid layers and their phase transitions. Lipids are modeled by short semiflexible chains of beads with a solvophilic head and a solvophobic tail component. They are forced to self-assemble into bilayers by a computationally cheap ‘p...

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Bibliographic Details
Published inComputer physics communications Vol. 177; no. 1; pp. 168 - 171
Main Authors Schmid, Friederike, Düchs, Dominik, Lenz, Olaf, West, Beate
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.07.2007
Subjects
Coarse-grained simulations
Membranes
Phase transitions
Phase transitions
Membranes
Coarse-grained simulations
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Summary:We describe a simple coarse-grained model which is suited to study lipid layers and their phase transitions. Lipids are modeled by short semiflexible chains of beads with a solvophilic head and a solvophobic tail component. They are forced to self-assemble into bilayers by a computationally cheap ‘phantom solvent’ environment. The model reproduces the most important phases and phase transitions of monolayers and bilayers. Technical issues such as Monte Carlo parallelization schemes are briefly discussed.
ISSN:0010-4655
1879-2944
DOI:10.1016/j.cpc.2007.02.066