KinFragLib is online!
2020.08.24 · By Dominique Sydow
We are happy to present the results of our KinFragLib project. Aiming to explore and extend the chemical space of kinase inhibitors, we propose a novel subpocket-guided fragmentation and recombination strategy.
Take a look at our preprint on ChemRxiv to find our more: “KinFragLib: Exploring the kinase inhibitor space using subpocket-focused fragmentation and recombination”. You can find the reported fragment and combinatorial libraries including all analyses notebooks on our GitHub repository.
Thanks to all co-authors for working together on this project with such enthusiasm: Dominique Sydow, Paula Schmiel, Jérémie Mortier, and Andrea Volkamer.