Project Grant 2229651

This National Science Foundation Project Grant under the Integrative Activities program (CFDA 47.083) provides $193,620 to the University of Delaware from February 1, 2023 to January 31, 2025. The funding will support research using computational and experimental ultrafast vibrational spectroscopy to unravel the gating mechanisms of ion channels. Specifically, the awardee will combine molecular dynamics simulations with computational spectroscopy to study activation mechanisms of potassium channels. Simulations will be validated through two-dimensional infrared experiments and used to design new experiments providing insight into channel activation. The proposed work seeks to derive an atomistic-level description of potassium channel functioning. Understanding ion channel mechanisms could help determine causes of diseases like cardiac arrhythmias and epilepsy and offer prospects for channel pharmacology therapy design.