Brownian dynamics study of an open-state KcsA potassium channel.

Three-dimensional Brownian dynamics simulations are used to study conductance of the KcsA potassium channel using the known crystallographic structure. Employing an open-state channel created by molecular dynamics simulations, current-voltage and current-concentration curves broadly consistent with experimental measurements are obtained. In the absence of an applied potential, the channel houses three potassium ions at positions that are in close agreement with X-ray diffraction maps.