Title: Ensemble-based computational design of enzyme catalysis and conformational equilibrium.
Professor, Department of Chemistry and Biomolecular Sciences.
University of Ottawa
Abstract: Enzymes are dynamic molecules, and this flexibility is essential to their catalytic function. Yet, computational enzyme design is typically performed using a single protein scaffold as design template, ignoring the important contributions of dynamics in enzyme catalysis. In the past few years, my group has developed multistate computational protein design methods that allow proteins to be modelled as structural ensembles that more realistically represent the range of conformations that these molecules can adopt. Here, I will show how we can use structural ensembles to accurately design more efficient de novo enzymes than previously possible and remodel an enzyme conformational landscape to obtain an 1800-fold substrate selectivity switch.
Monday, September 12, 2022 at 2:30 pm at LSC 3 and Zoom
Hosted by: Dr. Nobuhiko Tokuriki