title: Partitioning of lipids at domain boundaries in model membranes.
abstract: Line-active molecules ("linactants") that bind to the boundary interface between different fluid lipid domains in membranes have a strong potential as regulators of the lateral heterogeneity that is important for many biological processes. Here, we use molecular dynamics simulations in combination with a coarse-grain model that retains near-atomic resolution to identify lipid species that can act as linactants in a model membrane that is segregated into two lipid domains of different fluidity. Our simulations predict that certain hybrid saturated/unsaturated chain lipids can bind to the interface and lower the line tension, whereas cone-shaped lysolipids have a less pronounced effect.
authors.affiliation: Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, The Netherlands. l.schafer@rug.nl
authors.forename: Lars V
authors.initials: LV
authors.lastname: Schäfer
authors.forename: Siewert J
authors.initials: SJ
authors.lastname: Marrink
mesh_terms: D003198:Computer Simulation; D008051:Lipid Bilayers / Q000737:chemistry; D008055:Lipids / Q000737:chemistry*; D021962:Membrane Microdomains / Q000737:chemistry*; D008567:Membranes, Artificial; D013816:Thermodynamics
chemical_list: D008051:Lipid Bilayers; D008055:Lipids; D008567:Membranes, Artificial