GWC2 Wednesday Afternoon Research Seminars: Subha Kalyaanamoorthy

Wednesday, November 27, 2019 2:30 pm - 2:30 pm EST

Applications of Computational Modeling in Chemical Biology

Subha Kalyaanamoorthy
Department of Chemistry
University of Waterloo

Wednesday, November 27, 2019
2:30 p.m.
Main Link Room (EIT-2053/MacN-101)

Coffee and treats will be served.
All are welcome to attend this weekly seminar series.

Computational approaches –from bioinformatics to biomolecular modeling and simulations– have emerged as important tools in the fields of chemical biology and drug design. Recent developments in advanced computational methods coupled with sophisticated software programs and state-of-the-art supercomputing facilities have allowed them to work in tandem with experiments to understand the intricate mechanisms behind molecular recognition processes. This talk will highlight the examples where computational approaches have helped in three different applications: predicting off-target-based cardiotoxic effects of drug molecules, accelerating the hit discovery phase of drug design, and developing novel biocatalysts through ancestral protein reconstruction method.