Jaime H. Cheah

ExplainBind predicts protein-ligand binding likelihood and identifies key residues and non-covalent interactions without structural inputs, outperforming existing methods and enabling drug discovery insights.

Cell Painting in primary human hepatocytes exposed to 1,085 compounds detects bioactivity at lower concentrations than cytotoxicity assays and predicts cell-based, but not cell-free, ToxCast endpoints across feature extractors.

The paper identifies CDK9 inhibition as a therapeutic strategy for translocation renal cell carcinoma through phenotypic screening and mechanistic analysis.

The paper introduces a method to compress phenotypic screens using computational deconvolution, demonstrating increased efficiency and applicability to complex multicellular models.