Decoding Ion Channels Structure and Function

Applications to ion channel research computational approaches.- The ion conduction mechanism in potassium channels.- The molecular dynamics of potassium channel permeation selectivity and gating.- Delineating channel inactivation through molecular dynamics simulations and network analysis.- Molecular determinants of voltage dependent gating in potassium channels.- Integrating machine learning based quantitative structure activity relationship models and molecular modeling in developing inhibitors with reduced activity.- Computer aided drug design for the cardiac potassium channel.- Structure function studies of the potassium channel in vitro and in vivo.- Structure Function studies of .-dependent Exchangers encoded by the Gene Family.- CryoEM studiesof the Structure-Functional Properties of the.- SLC4 Membrane Transporter.- Combining CryoEM and kinetic measurements to study the cyclic nucleotide gated K+ channel SthK and the calcium gated K+ channel MthK.- Employing voltage clamp fluorometry to study agonist efficacy dependent structural alterations in the glycine receptor chloride channel.- Integrating computational and experimental methods to study ion channel function and modulation.- Combining experimental and computational tools to identify polyunsaturated fatty acid (PUFA) interaction sites on the cardiac potassium channel KCNQ1.- Experimental and theoretical studies of the mitochondrial beta-barrel channel VDAC.- Voltage gating of the voltage-dependent anion channel computational and experimental synergies.- Combining experimental and computational approaches for identifying substrate binding sites in SLC4 transporters.- Integrating experimental and computational approaches to delineate the gating mechanism of Kir channel.