Bowen Gao

GalaxyVS rapidly screens 100 billion compounds against protein structures, achieving high throughput and releasing a cross-species interaction database.

This paper introduces AlphaRank, a deep learning model that ranks protein-ligand binding affinity using hyperbolic geometry to overcome limitations of Euclidean space models.

DrugCLIP, a contrastive dense-retrieval model for pockets and molecules, beats docking on DUD-E and LIT-PCBA and screened about 10,000 human AlphaFold2 proteins in 24 hours.

This study evaluates AlphaFold3-derived models for drug binding affinity ranking, showing they outperform existing methods and require fewer resources.

cancerAlign improves tumor stratification by aligning tumors across cancer types using adversarial learning and consensus clustering, showing better results than methods that cluster within single cancer types.