The membrane potential and its representation by a constant electric field in computer simulations.

ABSTRACT: A theoretical framework is elaborated to account for the effect of a transmembrane potential in computer simulations. It is shown that a simulation with a constant external electric field applied in the direction normal to the membrane is equivalent to the influence of surrounding infinite baths maintained to a voltage difference via ion-exchanging electrodes connected to an electromotive force. It is also shown that the linearly-weighted displacement charge within the simulation system tracks the net flow of charge through the external circuit comprising the electromotive force and the electrodes. Using a statistical mechanical reduction of the degrees of freedom of the external system, three distinct theoretical routes are formulated and examined for the purpose of characterizing the fre

SUBMITTER: Roux B 

PROVIDER: S-EPMC2567939 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature