@VahidGh Yah, I had initially thought "No way!" when Ion Channels were mentioned. I used to work with Klaus Schulten's group on MD simulations using NAMD, and only the largest of the simulations go into the micro/millisecond domains and use tons of compute power.
@stripathy, For the second modeling approach (estimating kinetics from ion channel structure), we need some electrophysiology data for any kind of voltage-gated ion channel. Is there any kind of channel-specific data in the NeuroElectro, that could be used for this purpose?