Computational Biology
- Indexing Volumetric Shapes with Matching and Packing (Knowledge and Information Systems, 2014)
- Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise (J. Chem. In. Model., 2013)
- Interactive technologies for leveraging the known chemistry of anchor residues to disrupt protein interactions (Book Chapter, Protein-Protein Interactions in Drug Discovery, 2013)
- ZINCPharmer: Pharmacophore Search of the ZINC Database (Nucleic Acids Research, 2012)
- PocketQuery: Protein-Protein Interaction Inhibitor Starting Points from Protein-Protein Interaction Structure (Nucleic Acids Research, 2012)
- Enabling Large-Scale Design, Synthesis and Validation of Small Molecule Protein-Protein Antagonists (PLoS One, 2012)
- Small-Molecule Inhibitor Starting Points Learned From Protein-Protein Interaction Inhibitor Structure (Bioinformatics, 2012)
- Pharmer: Efficient and Exact Pharmacophore Search (J. Chem. Inf. Model., 2011)
- Exhaustive Fluorine Scanning toward Potent p53–Mdm2 Antagonists (ChemMedChem, 2011)