Phase behavior and dynamic heterogeneities in lipids: a coarse-grained simulation study of DPPC-DPPE mixtures.
The coarse-grained Marrink-model for biomembrane simulation is used to study mixtures of dipalmitoylphosphatidylcholine (DPPC) and dipalmitoylphosphatidylethanolamine (DPPE) at various concentrations and temperatures. At high temperatures close to ideal mixing is observed. In the low temperature ordered phase dynamic heterogeneities are identified under some conditions. These are correlated with heterogeneities in the local order and define local neighborhoods.
Wong
Brian Y
BY
Department of Chemical Engineering and Materials Science, UC Davis, Davis, CA 95616, USA.
Faller
Roland
R
D015060:1,2-Dipalmitoylphosphatidylcholine / Q000737:chemistry*; D003198:Computer Simulation; D006860:Hydrogen Bonding; D008051:Lipid Bilayers / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D044367:Phase Transition; D010714:Phosphatidylethanolamines; D013696:Temperature; D014867:Water / Q000737:chemistry*
D008051:Lipid Bilayers; D010714:Phosphatidylethanolamines; D014867:Water; D015060:1,2-Dipalmitoylphosphatidylcholine; C007510:1,2-dipalmitoyl-3-phosphatidylethanolamine