Contact Daniel Sena for Zoom Passcode

Specific recognition between biomolecules such as ligand-receptor and protein-ion is essential for biological processes including cell signaling, metabolism and immune response. Molecular modeling and simulations allow us to understand the physical mechanism of the specific recognition and are the basis of computer-aided drug discovery and molecular design. We have been developing physical models and computational algorithms to enable accurate prediction of molecular interactions. Here I will present the principles underlying our models and illustrate the diverse physical and thermodynamic driving forces in biomolecular recognition including enzyme-substrate binding, Ca2+ selectivity by Calmodulins and K+ conduction in KcsA ion channels.

When: Friday, April 1st, 2022

Where: Via Zoom (Contact Daniel Sena for Zoom Passcode)

Time: 11:00am- 12:00pm