Computational Modeling and Simulation of Ligand-Gated Ion Channels
This event is in the past.
Presenter: Dr. Rezvan Shahoei from the University of Illinois at Urbana-Chapaign
Abstract: Pentameric ligand-gated ion channels, from bacteria to the brain, convert chemical signals into electric signals. In this talk, I will present the results from two projects in which molecular dynamics (MD) simulations and MD-based methods are utilized to study two members of this protein superfamily and their interactions with small molecules. The first project focuses on menthol binding to the most abundant nicotinic acetylcholine receptor in the brain. In the second project, MD simulations are used to determine the functional states of experimentally-derived models of the human α1 glycine receptor.