Wednesday 27 March 2024, 14:00 - 15:30 (register below for Zoom link)
Speaker: Brian Bender, Sosei Heptares
Title: “Applications of AlphaFold and Generative Molecular Design for GPCR SBDD”
Abstract: Methodologies for structure prediction and molecule design are advancing at a rapid pace. Staying on top of recent developments requires testing them to understand if they are truly useful for prospective research. In this talk, we will explore the uses of AlphaFold and generative molecular design in the context of drug discovery at a class of membrane proteins known as G protein-coupled receptors. Through the use of retrospective studies, we demonstrate the possibilities and limitations of these technologies. For the limitations that do exist, we will show how we and others in the field are working to overcome these challenges. Both AlphaFold and generative molecular design are powerful methods but require attention to detail to be useful in active drug discovery programs.
