title: Modeling of ionic relaxation around a biomembrane disk.
abstract: A simplified Brownian dynamics model and the corresponding software implementation have been developed for the simulation of electrolyte dynamics on the mesoscopic scale. In addition to direct control simulations, the model system has been verified by a quantitative comparison with the Debye-Hückel theory. As a first application, the model was used to simulate ionic relaxation processes following abrupt intramembrane charge rearrangements in the case of a disk shaped membrane. In addition to its general implications, the obtained properties of the relaxation kinetics confirm the assumptions of the theory of the so-called suspension method, a technique capable of tracing molecular charge motions of membrane proteins in three dimensions.
authors.affiliation: Institute of Biophysics of the Hungarian Academy of Sciences, Temesvári krt. 62, H-6701, P.O. Box 521, H-6726 Szeged, Hungary. oroszi@nucleus.szbk.u-szeged.hu
authors.forename: László
authors.initials: L
authors.lastname: Oroszi
authors.forename: Olaf
authors.initials: O
authors.lastname: Hasemann
authors.forename: Elmar
authors.initials: E
authors.lastname: Wolff
authors.forename: András
authors.initials: A
authors.lastname: Dér
mesh_terms: D000465:Algorithms; D002462:Cell Membrane / Q000378:metabolism*; D003198:Computer Simulation; D004058:Diffusion; D004573:Electrolytes / Q000737:chemistry; D007477:Ions / Q000737:chemistry; D008565:Membrane Proteins / Q000737:chemistry / Q000378:metabolism; D008956:Models, Chemical; D012965:Sodium Chloride / Q000737:chemistry; D012984:Software; D013997:Time Factors
chemical_list: D004573:Electrolytes; D007477:Ions; D008565:Membrane Proteins; D012965:Sodium Chloride