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| 24633516 | Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK. | Journal of Computer-Aided Molecular Design | 2014 |
| 24412110 | Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses. | Bioorganic and Medicinal Chemistry Letters | 2014 |
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| 18477508 | Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor. | Bioorganic and Medicinal Chemistry Letters | 2008 |
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| 17238257 | Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space. | Journal of Chemical Information and Modeling | 2007 |
| 16451072 | Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K. | Journal of Medicinal Chemistry | 2006 |
| 16859286 | GLARE: a new approach for filtering large reagent lists in combinatorial library design using product properties. | Journal of Chemical Information and Modeling | 2006 |
| 15686936 | Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors. | Bioorganic and Medicinal Chemistry Letters | 2005 |
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| 16023344 | Lipophilic versus hydrogen-bonding effect in P3 on potency and selectivity of valine aspartyl ketones as caspase 3 inhibitors. | Bioorganic and Medicinal Chemistry Letters | 2005 |
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| 15115390 | Reducing the peptidyl features of caspase-3 inhibitors: a structural analysis. | Journal of Medicinal Chemistry | 2004 |
| 15013020 | Structure based design of a series of potent and selective non peptidic PTP-1B inhibitors. | Bioorganic and Medicinal Chemistry Letters | 2004 |
| 14980595 | Solid phase synthesis of selective caspase-3 peptide inhibitors. | Bioorganic and Medicinal Chemistry | 2004 |
| 14516196 | The structural basis for the selectivity of benzotriazole inhibitors of PTP1B. | Biochemistry | 2003 |
| 12798321 | Nicotinyl aspartyl ketones as inhibitors of caspase-3. | Bioorganic and Medicinal Chemistry Letters | 2003 |
| 12605861 | Identification of metabotropic glutamate receptor antagonists using an automated high-throughput screening system. | Analytical Biochemistry | 2003 |
| 12395429 | Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation. | Journal of Computational Chemistry | 2002 |
| 11352902 | The YRD motif is a major determinant of substrate and inhibitor specificity in T-cell protein-tyrosine phosphatase. | Journal of Biological Chemistry | 2001 |
| 11457149 | An analysis of the interactions between the Sem-5 SH3 domain and its ligands using molecular dynamics, free energy calculations, and sequence analysis. | J Am Chem Soc | 2001 |
| 11353841 | Maintenance of caspase-3 proenzyme dormancy by an intrinsic "safety catch" regulatory tripeptide. | Proceedings of the National Academy of Sciences of the United States of America | 2001 |
| 10091674 | Structure-based design of COX-2 selectivity into flurbiprofen. | Bioorganic and Medicinal Chemistry Letters | 1999 |
| 10091677 | Substituted furans as inhibitors of the PDE4 enzyme. | Bioorganic and Medicinal Chemistry Letters | 1999 |