Ion Transport from Physics to Physiology: the Missing Rungs in the Ladder
All-atom simulation of ion permeation in single-file channelsVishwanath Jogini
DE Shaw Research, New York, USA, USA
Using long, all-atom simulations enabled by special-purpose hardware, we have studied ionic conduction at the level of individual permeation events across a number of different voltage-gated potassium channels. From these simulations, we have identified possible mechanisms of channel gating and channel inactivation, both of which are relevant to how these channels appear to control permeation and permeation rates. Such basic mechanistic insights allow us to explore non-conventional means of modulating channel activity.