Accelerating Cryptic Pocket Discovery with Deep Learning

Explore cutting-edge research on accelerating cryptic pocket discovery using deep learning in this 37-minute conference talk by Greg Bowman at the 2023 Molecular Machine Learning conference. Delve into the simulation of millisecond protein folding, understand the importance of structural snapshots, and discover how cryptic pockets present new opportunities in drug discovery. Learn about innovative techniques for finding key degrees of freedom and the application of PocketMiner for identifying cryptic pockets. Investigate the potential role of AlphaFold in this field and gain insights from the Q&A session. Connect with speakers and fellow attendees through the provided Slack invitation for further discussions on this fascinating topic in molecular biology and machine learning.

- Intro
- Simulation of a Millisecond Folder: NTL9
- Structural Snapshots: Tip of the Iceberg
- Cryptic Pockets Present New Opportunities
- Finding Key Degrees of Freedom
- Looking for Cryptic Pockets: PocketMiner
- Can AlphaFold Help?
- Q+A