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Philos Trans R Soc Lond B Biol Sci. 2006 Mar 29;361(1467):413-23.

Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery.

Author information

1
Department of Biochemistry, University of Cambridge 80 Tennis Court Road, Cambridge CB2 1GA, UK. tom@cryst.bioc.cam.ac.uk

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.

PMID:
16524830
PMCID:
PMC1609333
DOI:
10.1098/rstb.2005.1800
[Indexed for MEDLINE]
Free PMC Article

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