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| Alan Gibbs, Johnson & Johnson Pharmaceutical Research & Development |
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| Alan Gibbs earned a B.Sc. in Biochemistry (1996) at the University of Calgary. He went on to pursue graduate studies at the University of Alberta and completed his Ph.D. in Medicinal Chemistry (2001) under the supervision of Professor David Wishart. His doctoral thesis focused on the characterization of anti-bacterial peptide structure and function via the use of multi-dimensional NMR and molecular dynamics simulations. After completion of his thesis, he joined 3-Dimensional Pharmaceuticals Inc., based in Exton PA, as a computational chemist (2001). At 3-Dimensional Pharmaceuticals, Alan enjoyed many areas of computational drug design, in particular: Protein/ligand docking, molecular dynamics simulations, QSAR modeling, and quantum methods. In 2003, 3-Dimensional Pharmaceuticals was acquired by Johnson & Johnson Pharmaceutical Research & Development L.L.C. and Alan joined the Molecular Design and Informatics group. Since then, he has continued doing structure based drug design as well as combinatorial library design and diversity analysis.
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ABCD and Combinatorial Library Design
Alan Gibbs, Johnson and Johnson Pharmaceutical Research & Development
Johnson and Johnson Pharmaceutical Research & Development has recently unveiled ABCD
(http://www.bioitworld.com/archive/061704/discovery.html), an informatics platform that bridges multiple continents, data systems and cultures using modern information technology, and delivers unprecedented chemical sophistication, performance and analytical power to discovery scientists around the globe. A central component of ABCD is a .NET-based desktop application called Third Dimension Explorer, which enables researchers to access, analyze and mine large volumes of chemical and biological data, compute relevant molecular properties, establish structure activity-relationships, and perform an array of additional chemo- and bio-informatics tasks. In this presentation, we give an overview of ABCD and Third Dimension Explorer, and demonstrate how it can be used to aid the design of large combinatorial libraries.
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