title: Simulation of voltage-driven hydrated cation transport through narrow transmembrane channels.
abstract: Molecular dynamics studies for the voltage-driven transport of the alkali metal ions lithium, sodium, and potassium through gramicidin A-type channels filled with water molecules are presented. The number of water molecules in the channel is obtained from a previous study (Skerra, A., and J. Brickmann, 1987, Biophys. J., 51:969-976). It is shown that the selectivity of the intrachannel ion diffusion through our model pore conforms to the experimentally observed selectivity of the gramicidin A channel. It is demonstrated that the number of water molecules in the channel plays a key role for the selectivity.
mesh_terms: D002412:Cations; D003198:Computer Simulation; D006096:Gramicidin; D007473:Ion Channels / Q000502:physiology*; D008094:Lithium; D008954:Models, Biological; D011188:Potassium; D012964:Sodium
chemical_list: D002412:Cations; D007473:Ion Channels; D006096:Gramicidin; D008094:Lithium; D012964:Sodium; D011188:Potassium