Molecular Modeling in Studies of Ion Channels and their Modulation by Ligands

Ion channels constitute a diverse family of transmembrane proteins, which regulate flow of ions through cell membranes. The channels are involved in multiple physiological processes and they are targets for numerous naturally occurring toxins and medically important drugs. However, molecular details of the channel structure, mechanisms of action, and interaction with ligands are still debated. A reason for this is the shortage of atomic-level …