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  • Title: Simulation of voltage-driven hydrated cation transport through narrow transmembrane channels.
    Author: Skerra A, Brickmann J.
    Journal: Biophys J; 1987 Jun; 51(6):977-83. PubMed ID: 2440486.
    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.
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