A molecular model for ion selectivity in membrane channels.

In this article, the three-dimensional motion of an ion within a molecular channel is discussed for the first time; escape rates from binding sites are calculated using the transition state method. For a given ligand configuration and a particular pore radius the rates depend upon ion size and mass. It is found that the activation energies depend strongly on the ion size, i.e., they increase with decreasing ion radius. In contrast to the rates obtained from the mass dependence alone, the rates depending on both mass and size of the alkali ions yield the completely inverted sequence, namely the Eisenman sequence I.