title: Simulation of the distribution and diffusion of a rigid amphipathic particle embedded in a model membrane.
abstract: We simulate, by Brownian dynamics, the distribution, orientation and diffusion of a rigid molecule, represented as a dumbbell, with amphipathic nature, embedded in a model membrane. The significant features of a biological membrane are reproduced by means of a Maier-Saupe orienting potential, an enclosing potential and a lipophobic potential. We also evaluate the equilibrium quantities, such as order parameter, and dynamic features, such as rotational or translational diffusivity, of the embedded molecule in terms of the system parameters and compare the obtained results with those obtained from model independent theory.
authors.affiliation: Departamento de Química e Bioquímica, Faculdade de Cências de UL, Lisboa, Portugal.
authors.forename: M X
authors.initials: MX
authors.lastname: Fernandes
authors.forename: M L
authors.initials: ML
authors.lastname: Huertas
authors.forename: M A
authors.initials: MA
authors.lastname: Castanho
authors.forename: J
authors.initials: J
authors.lastname: García de la Torre
mesh_terms: D004058:Diffusion; D008051:Lipid Bilayers / Q000737:chemistry; D008564:Membrane Potentials; D008567:Membranes, Artificial; D008954:Models, Biological; D013816:Thermodynamics
chemical_list: D008051:Lipid Bilayers; D008567:Membranes, Artificial