Asghar Razavi
Director of Molecular Modeling & Design Fathom Therapeutics
Seminars
Thursday 28th January 2027
Proximal and Productive: A Transferable Free-Energy Based Conformational-Ensemble Engine for Ternary-Complex and Molecular Glue Discovery
4:00 pm
- Mapping the free-energy based conformational ensemble for protein-protein interface rather than a single crystallographic pose enables ligandability of a pocket as a measurable quantity with a known free energy.
- Filtering the free-energy landscape for a productive ubiquitin transfer, i.e. lysine reach, residence time and turnover, identifies pockets with biological functional outcomes, not just a protein-protein glue.
- Ensemble-scale pharmacophore-based and generative AI based targeted virtual screening enables the discovery of functional molecular glues
