Title: From structure prediction to therapeutics: the rapidly evolving landscape of biomolecular modeling and simulations

Abstract

AI-driven structural modeling and physics-based molecular simulations have recently led to numerous applications, including the design of new drugs and enzymes. Recent advancements in experimental as well as computational techniques such as cryo-EM, molecular dynamics simulations, and machine learning have accelerated our understanding of biological systems at the atomistic level and have allowed us to directly confront various diseases by aiding in designing therapeutics and vaccines. I will discuss a range of examples of biophysical investigations leveraging recent state-of-the-art techniques. The topics will include computational investigations of membrane interactions, viral assembly and budding, and designing novel antimicrobial compounds to tackle the threat of antimicrobial resistance.

Lunch will be provided.