Ion channels are membrane proteins that allow transport of ions across otherwise impermeable membrane. Their dysfunction often result in severe hereditary diseases, underlying the importance of ion channels as pharmacological targets. Characterization of ion channel structure and function (gating) is a necessary step towards the design of their modulators. We investigate gating mechanisms of voltage-gated ion channels and their modulation by perturbations from voltage, ligand binding and mutations.
Gating interaction maps reveal a noncanonical electromechanical coupling mode in the Shaker K+ channel AI Fernández-Mariño, TJ Harpole, K Oelstrom, L Delemotte and B Chanda, Nat. Struct. Mol. Biol. DOI: 10.1038/s41594-018-0047-3
Exploring the Viral Channel KcvPBCV‑1 Function via Computation 1007/s00232-018-0022-2
Studying Kv Channels Function using Computational Methods A Deyawe, MA Kasimova, L Delemotte, G Loussouarn, M Tarek Potassium Channels, 321-341
Does proton conduction in the voltage-gated H+ channel hHv1 involve grotthuss-like hopping via acidic residues? S C van Keulen, E Gianti, V Carnevale, ML Klein, U Rothlisberger and L Delemotte, J. Phys. Chem. B, DOI: 10.1021/acs.jpcb.6b08339
Understanding TRPV1 activation by ligands: Insights from the binding modes of capsaicin and resiniferatoxin K Elokely, P Velisetty, L Delemotte, E Palovcak, ML Klein, T Rohacs, … Proceedings of the National Academy of Sciences 113 (2), E137-E145
Gating pore currents are defects in common with two Nav1. 5 mutations in patients with mixed arrhythmias and dilated cardiomyopathy A Moreau, P Gosselin-Badaroudine, L Delemotte, ML Klein, M Chahine The Journal of general physiology 145 (2), 93-106
Free-energy landscape of ion-channel voltage-sensor–domain activation L Delemotte, MA Kasimova, ML Klein, M Tarek, V Carnevale Proceedings of the National Academy of Sciences 112 (1), 124-129