Models of permeation in ion channels

摘要: Ion channels are formed by specific proteins embedded in the cell membrane and provide pathways for fast controlled flow of selected ions down their electrochemical gradient. This activity generates action potentials nerves, muscles other excitable cells, forms basis all movement, sensation thought processes living beings. While functional properties ion well known from physiological studies, lack structural knowledge has hindered development realistic theoretical models necessary understanding interpretation these properties. Recent determination molecular structures potassium mechanosensitive x-ray crystallography finally broken this impasse, heralding a new age channel studies where study structure– function relationships takes central stage. In paper, we present critical review various approaches to modelling transport channels, including continuum theories, Brownian dynamics, classical ab initio dynamics. Strengths weaknesses each approach discussed illustrated with applications some channels.