Simulating the Activation of Voltage Sensing Domain for a Voltage-Gated Sodium Channel Using Polarizable Force Field.

Voltage-gated sodium (Na) channels play vital roles in the signal transduction of excitable cells. Upon activation of a Na channel, the change of transmembrane voltage triggers conformational change of the voltage sensing domain, which then elicits opening of the pore domain and thus allows an influx of Na ions. Description of this process with atomistic details is in urgent demand.