MODELS AND SIMULATIONS OF ION CHANNELS AND RELATED MEMBRANE-PROTEINS

The past year has seen major advances in our understanding of ion chan nels, resulting from molecular dynamics simulations and modelling stud ies. Simulations of gramicidin have revealed that proton conduction al ong a water wire is limited by the dynamics of water reorientation, Pl ausible models are now available for a number of other channels, inclu ding alamethicin, the influenza A virus M2 protein, and the pore domai ns of the nicotinic acetylcholine receptor and Ky channels. Molecular dynamics simulations and continuum calculations have revealed some of the subtleties of the interactions between transmembrane helices and t heir lipid bilayer environment.