Molecular Dynamics Simulations of Channelrhodopsin Chimera, C1C2

Channelrhodopsin C1C2: Photocycle kinetics and interactions near the central gate

“…Electrophysiological studies were used to measure opening and closing rates of the channels, as previously described (16). Atomistic simulations were applied to investigate the network of chemical interactions among key gating residues, as well as pore structure and hydration, to determine how mutations affect those properties (17). The atomistic simulations are not intended to reproduce the experimental data but instead to provide molecular details to help explain the differences observed experimentally.…”