title: Predicting channel function from channel structure using Brownian dynamics simulations.
abstract: 1. The transport process of ions across the potassium channel is studied using computer simulations. The shape of the model channel corresponds closely to that deduced from crystallography. 2. We first give an intuitive account of how the motion of ions experiencing an applied electric force and interacting with a dielectric boundary and charge residues on the channel wall can be simulated accurately by using a powerful supercomputer. 3. We then show how some of the salient features of ion channels can be deduced by following the positions of ions at each discrete step over many millions of time steps.
authors.affiliation: Department of Chemistry, Research School of Physical Sciences, Australian National University, Canberra, Australian Capital Territory. Shin-Ho.Chung@anu.edu.au
authors.forename: S H
authors.initials: SH
authors.lastname: Chung
authors.forename: S
authors.initials: S
authors.lastname: Kuyucak
mesh_terms: D017136:Ion Transport / Q000502:physiology; D008954:Models, Biological; D017711:Nonlinear Dynamics; D015221:Potassium Channels / Q000737:chemistry* / Q000502:physiology; D013302:Streptomyces
chemical_list: D015221:Potassium Channels