Open access
Sep 2026
Machine Learning-Guided Classification of Druggable Pockets and Phylogenetic Druggability Transfer Across the Human Kinome
A machine learning-guided structural atlas of 11,945 kinase-inhibitor complexes is constructed and it is demonstrated that evolutionary proximity is a statistically significant predictor of shared allosteric pocket accessibility, making drug discovery more efficient.
Rudrakshi Chauhan, Rajiah Aldrin Denny, N. Murugan
· bioRxiv · 0 citations