title: Measuring the composition-curvature coupling in binary lipid membranes by computer simulations.
abstract: The coupling between local composition fluctuations in binary lipid membranes and curvature affects the lateral membrane structure. We propose an efficient method to compute the composition-curvature coupling in molecular simulations and apply it to two coarse-grained membrane models-a minimal, implicit-solvent model and the MARTINI model. Both the weak-curvature behavior that is typical for thermal fluctuations of planar bilayer membranes as well as the strong-curvature regime corresponding to narrow cylindrical membrane tubes are studied by molecular dynamics simulation. The simulation results are analyzed by using a phenomenological model of the thermodynamics of curved, mixed bilayer membranes that accounts for the change of the monolayer area upon bending. Additionally the role of thermodynamic characteristics such as the incompatibility between the two lipid species and asymmetry of composition are investigated.
authors.affiliation: Institut für Theoretische Physik, Georg-August-Universität, Friedrich-Hund-Platz 1, 37077 Göttingen, Germany.
authors.forename: I A
authors.initials: IA
authors.lastname: Barragán Vidal
authors.affiliation: Centro de Investigaciones en Química Biológica de Córdoba, Departamento de Química Biológica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Córdoba, Argentina.
authors.forename: C M
authors.initials: CM
authors.lastname: Rosetti
authors.affiliation: Departamento de Física de la Materia Condensada, Centro Atómico Constituyentes, CNEA/CONICET, Av. Gral. Paz 1499, 1650 Pcia. de Buenos Aires, Argentina.
authors.forename: C
authors.initials: C
authors.lastname: Pastorino
authors.affiliation: Institut für Theoretische Physik, Georg-August-Universität, Friedrich-Hund-Platz 1, 37077 Göttingen, Germany.
authors.forename: M
authors.initials: M
authors.lastname: Müller
mesh_terms: D003198:Computer Simulation; D008563:Membrane Lipids; D013816:Thermodynamics
chemical_list: D008563:Membrane Lipids