At the 10th International Summer School on AI and Big Data, Prof. Michael Schroeder and Mahmood Nazari will talk about Computational Drug Repositioning with Interaction Fingerprints: Drug Discovery in the Fast Lane.

Talk: Computational Drug Repositioning with Interaction Fingerprints: Drug Discovery in the Fast Lane

Drug repositioning identifies novel applications for existing drugs. One approach exploits protein structures and the similarity of drug-target interaction fingerprints. We will sketch the idea and show examples how the method works and give an overview over the spin-off pharm.ai, which has run numerous screens with collaboration partners and in-house. We will round-off the picture with some thoughts on how AlphaFold2 can help to greatly expand the sources for drug repositioning candidates.