selected publications academic article Activation of Rho Family GTPases by Small Molecules.. ACS chemical biology. 13:1514-1524. 2018 A comprehensive map of molecular drug targets.. Nature reviews. Drug discovery. 16:19-34. 2017 DrugCentral: online drug compendium.. Nucleic acids research. 45:D932-D939. 2017 Formalizing drug indications on the road to therapeutic intent.. Journal of the American Medical Informatics Association : JAMIA. 24:1169-1172. 2017 Pharos: Collating protein information to shed light on the druggable genome.. Nucleic acids research. 45:D995-D1002. 2017 Protein biomarker druggability profiling.. Journal of biomedical informatics. 66:241-247. 2017 Estimation of Maximum Recommended Therapeutic Dose Using Predicted Promiscuity and Potency.. Clinical and translational science. 9:311-320. 2016 Chronic obstructive pulmonary disease phenotypes using cluster analysis of electronic medical records.. Health informatics journal. :-. 2016 BDDCS, the Rule of 5 and drugability.. Advanced drug delivery reviews. :-. 2016 Discovery of a specific inhibitor of human GLUT5 by virtual screening and in vitro transport evaluation.. Scientific reports. 6:-. 2016 Badapple: promiscuity patterns from noisy evidence.. Journal of cheminformatics. 8:-. 2016 Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.. Journal of biomolecular screening. :-. 2015 A high-throughput phenotypic screen of cytotoxic T lymphocyte lytic granule exocytosis reveals candidate immunosuppressants.. Journal of biomolecular screening. 20:359-371. 2015 CHEMICAL AND BIOLOGICAL DESCRIPTOR INTEGRATION IMPROVES COMPUTATIONAL MODELING OF IN VIVO RAT TOXICITY.. Revue roumaine du chimie. 60:219-226. 2015 Development and validation of a clinical prediction rule for candidemia in hospitalized patients with severe sepsis and septic shock.. Journal of critical care. :-. 2015 A Pan-GTPase Inhibitor as a Molecular Probe. 2015 FRET detection of lymphocyte function-associated antigen-1 conformational extension.. Molecular biology of the cell. 26:43-54. 2015 Novel Activities of Select NSAID R-Enantiomers against Rac1 and Cdc42 GTPases. 2015 A high throughput flow cytometric assay platform targeting transporter inhibition.. Drug discovery today. Technologies. 12:e95-103. 2014 A chemogenomic analysis of ionization constants--implications for drug discovery.. ChemMedChem. 8:242-255. 2013 Characterization of a Cdc42 GTPase Inhibitor and its Use as a Molecular Probe.. The Journal of biological chemistry. :8531. 2013 Characterization of a Cdc42 protein inhibitor and its use as a molecular probe. 2013 Emerging trends in the discovery of natural product antibacterials.. Current opinion in pharmacology. 13:678-687. 2013 Fluorescent substrates for flow cytometric evaluation of efflux inhibition in ABCB1, ABCC1, and ABCG2 transporters.. Analytical biochemistry. 437:77-87. 2013 The CARLSBAD database: a confederated database of chemical bioactivities.. Database : the journal of biological databases and curation. 2013:-. 2013 A competitive nucleotide binding inhibitor: in vitro characterization of Rab7 GTPase inhibition.. ACS chemical biology. 7:1095-1108. 2012 A competitive nucleotide binding inhibitor: in vitro characterization of Rab7 GTPase inhibition.. ACS chemical biology. 7:1095-1108. 2012 A Selective ATP-Binding Cassette Subfamily G Member 2 Efflux Inhibitor Revealed via High-Throughput Flow Cytometry.. Journal of biomolecular screening. :-. 2012 Identification of a small molecule yeast TORC1 inhibitor with a multiplex screen based on flow cytometry.. ACS chemical biology. 7:715-722. 2012 Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer-Aided Drug Repurposing.. Molecular informatics. 30:100-111. 2011 Drug Repurposing from an Academic Perspective.. Drug discovery today. Therapeutic strategies. 8:61-69. 2011 Drug Repurposing from an Academic Perspective.. Drug discovery today. Therapeutic strategies. 8:61-69. 2011 Drug Repurposing from an Academic Perspective.. Drug discovery today. Therapeutic strategies. 8:61-69. 2011 A small molecule pan-inhibitor of Ras-superfamily GTPases with high efficacy towards Rab7 2010 Model-free drug-likeness from fragments.. Journal of chemical information and modeling. 50:1387-1394. 2010 Profiling a Selective Probe for RTG Branch of Yeast TORC1 Signaling Pathway 2010 Selective Efflux Inhibition of ATP-binding Cassette Sub-family G Member 2 2010 iPHACE: integrative navigation in pharmacological space.. Bioinformatics (Oxford, England). 26:985-986. 2010 A crowdsourcing evaluation of the NIH chemical probes.. Nature chemical biology. 5:441-447. 2009 Conformational mAb as a tool for integrin ligand discovery.. Assay and drug development technologies. 7:507-515. 2009 article A Potent and Selective Inhibitor of Cdc42 GTPase 2010 Three small molecule pan activator families of Ras-related GTPases 2010 document Erratum to: Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes.. Journal of cheminformatics. -. 2016
education and training B.S. in Chemistry, Babes-Bolyai , Chemistry M.S. in Heterocyclic Chemistry, Babes-Bolyai , Chemistry Ph.D. in Computational Chemistry, Babes-Bolyai , Chemistry Biochemistry and Molecular Biology
mailing address Translational Informatics Division, DoIM MSC09 5025, 1 University of New Mexico Albuquerque, New Mexico 87131 United States of America