Flavio Costa

Dynamical Nonequilibrium Molecular Dynamics Simulations Reveal Atomistic Steps of C‑Type Inactivation in Cardiac hERG Channels

hERG is a voltage-gated potassium channel whose malfunction is associated with cardiac pathologies. Unlike other potassium channels, hERG exhibits a peculiarly fast C-type inactivation at the level of the selectivity filter (SF), which has complicated our understanding of its structural dynamics. Molecular Dynamics (MD...