Arnau Comajuncosa-Creus

Inhibitor-induced supercharging of kinase turnover via endogenous proteolytic circuits

The paper identifies inhibitor-induced kinase destabilization as a common phenomenon and reveals that it occurs through endogenous proteolytic mechanisms rather than classical ubiquitination.

Integration of diverse bioactivity data into the Chemical Checker compound universe

The paper introduces a protocol to integrate diverse bioactivity data into the Chemical Checker compound universe, enabling the generation of novel bioactivity signatures for small molecules.

Comprehensive detection and characterization of human druggable pockets through novel binding site descriptors

The paper introduces PocketVec, a method to generate binding site descriptors for proteins, identifies over 32,000 druggable pockets in the human proteome, and shows its utility in discovering similar pockets not detected by traditional methods.

Stereochemically-aware bioactivity descriptors for uncharacterized chemical compounds

The paper trains stereochemically-aware models to better capture bioactivity differences between stereoisomers of small molecules.