Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery |
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Authors: | Blundell Tom L Sibanda Bancinyane L Montalvão Rinaldo Wander Brewerton Suzanne Chelliah Vijayalakshmi Worth Catherine L Harmer Nicholas J Davies Owen Burke David |
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Institution: | Department of Biochemistry, University of Cambridge 80 Tennis Court Road, Cambridge CB2 1GA, UK. tom@cryst.bioc.cam.ac.uk |
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Abstract: | Impressive progress in genome sequencing, protein expression and high-throughput crystallography and NMR has radically transformed the opportunities to use protein three-dimensional structures to accelerate drug discovery, but the quantity and complexity of the data have ensured a central place for informatics. Structural biology and bioinformatics have assisted in lead optimization and target identification where they have well established roles; they can now contribute to lead discovery, exploiting high-throughput methods of structure determination that provide powerful approaches to screening of fragment binding. |
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