UNIT 4. INFORMATICS The Informatics Unit will be responsible for uploading data into PubChem and for providing and maintaining an effective data management system for data processing and for tracking compounds, assays, data and related information for the Burnham Center. By leveraging our pre-existing expertise and commercial data management technologies, we successfully built an effective and scalable system in the first year of MLSCN operation. The system has been extensively customized to handle the challenges arising from exponentially increasing volume, complexity, and diversity of data. In parallel, we have developed significant expertise and established the best practices for high-quality data transfer to PubChem. Altogether, Unit 4 has demonstrated advanced informatics capabilities and is ready to scale to the Production Phase of MLPCN.

National Institute of Health (NIH)
National Human Genome Research Institute (NHGRI)
Specialized Center--Cooperative Agreements (U54)
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Special Emphasis Panel (ZRG1-IFCN-K)
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Sanford-Burnham Medical Research Institute
La Jolla
United States
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Pagano, Nicholas; Teriete, Peter; Mattmann, Margrith E et al. (2017) An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem 25:6248-6265
Barak, Larry S; Bai, Yushi; Peterson, Sean et al. (2016) ML314: A Biased Neurotensin Receptor Ligand for Methamphetamine Abuse. ACS Chem Biol 11:1880-90
Roy, Sudeshna; Šileikyt?, Justina; Neuenswander, Benjamin et al. (2016) N-Phenylbenzamides as Potent Inhibitors of the Mitochondrial Permeability Transition Pore. ChemMedChem 11:283-8
Schreiber, Stuart L; Kotz, Joanne D; Li, Min et al. (2015) Advancing Biological Understanding and Therapeutics Discovery with Small-Molecule Probes. Cell 161:1252-65
Tautz, Lutz; Senis, Yotis A; Oury, Cécile et al. (2015) Perspective: Tyrosine phosphatases as novel targets for antiplatelet therapy. Bioorg Med Chem 23:2786-97
Alontaga, Aileen Y; Li, Yifei; Chen, Chih-Hong et al. (2015) Design of high-throughput screening assays and identification of a SUMO1-specific small molecule chemotype targeting the SUMO-interacting motif-binding surface. ACS Comb Sci 17:239-46
Zou, Haixia; Limpert, Allison S; Zou, Jiwen et al. (2015) Benzodiazepinone derivatives protect against endoplasmic reticulum stress-mediated cell death in human neuronal cell lines. ACS Chem Neurosci 6:464-75
Rozanov, Dmitri; Cheltsov, Anton; Sergienko, Eduard et al. (2015) TRAIL-Based High Throughput Screening Reveals a Link between TRAIL-Mediated Apoptosis and Glutathione Reductase, a Key Component of Oxidative Stress Response. PLoS One 10:e0129566
Roy, Sudeshna; Šileikyt?, Justina; Schiavone, Marco et al. (2015) Discovery, Synthesis, and Optimization of Diarylisoxazole-3-carboxamides as Potent Inhibitors of the Mitochondrial Permeability Transition Pore. ChemMedChem 10:1655-71
Musumeci, Lucia; Kuijpers, Marijke J; Gilio, Karen et al. (2015) Dual-specificity phosphatase 3 deficiency or inhibition limits platelet activation and arterial thrombosis. Circulation 131:656-68

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