Harnessing Geometry For Molecular Design | Michael Bronstein, Bruno Correia

Unlocking the Future of Drug Discovery with Generative AI!
Dive into our premiere episode of a monthly lecture series dedicated to Generative AI in Drug Discovery. Renowned experts Michael Bronstein and Bruno Correia shed light on how advanced AI techniques, including diffusion models, are transforming the realm of protein engineering. Discover the profound impact AI holds for the future of drug discovery and research. Subscribe and stay tuned for more enlightening discussions in this series!
Links:
- Laboratory of Protein Design and Immunoengineering: www.epfl.ch/labs/lpdi/
- VantAI: www.vant.ai
Selected publications:
- P. Gainza, F. Sverrisson, F. Monti, E. Rodolà, D. Boscaini, M. M. Bronstein & B. E. Correia. "Deciphering interaction fingerprints from protein molecular surfaces using geometric deep learning." Nat Methods 17, 184-192 (2020). doi.org/10.1038/s41592-019-06...
- F. Sverrisson, J. Feydy, B. E. Correia, M. M. Bronstein. "Fast end-to-end learning on protein surfaces." bioRxiv (2020). doi.org/10.1101/2020.12.28.42...
- P. Gainza, S. Wehrle, ..., M. Bronstein & B. E. Correia. "De novo design of protein interactions with learned surface fingerprints." Nature 617, 176-184 (2023). doi.org/10.1038/s41586-023-05...
- I. Igashov, A. Schneuing, M. H. S. Segler, M. M. Bronstein & B. E. Correia. "RetroBridge: Modeling Retrosynthesis with Markov Bridges." ArXiv abs/2308.16212 (2023)