title: Three-dimensional Poisson-Nernst-Planck theory studies: influence of membrane electrostatics on gramicidin A channel conductance.
abstract: A recently introduced real-space lattice methodology for solving the three-dimensional Poisson-Nernst-Planck equations is used to compute current-voltage relations for ion permeation through the gramicidin A ion channel embedded in membranes characterized by surface dipoles and/or surface charge. Comparisons to a variety of experimental results, presented herein, have proven largely successful. Strengths and weaknesses of the method are discussed.
authors.affiliation: Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA.
authors.forename: A E
authors.initials: AE
authors.lastname: Cárdenas
authors.forename: R D
authors.initials: RD
authors.lastname: Coalson
authors.forename: M G
authors.initials: MG
authors.lastname: Kurnikova
mesh_terms: D000465:Algorithms; D002462:Cell Membrane / Q000737:chemistry* / Q000378:metabolism; D003198:Computer Simulation; D006096:Gramicidin / Q000737:chemistry*; D007473:Ion Channels / Q000737:chemistry* / Q000378:metabolism; D017136:Ion Transport / Q000502:physiology; D008567:Membranes, Artificial; D008956:Models, Chemical; D008958:Models, Molecular; D016012:Poisson Distribution; D017434:Protein Structure, Tertiary; D055672:Static Electricity
chemical_list: D007473:Ion Channels; D008567:Membranes, Artificial; D006096:Gramicidin