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

Tom L Blundell, Bancinyane L Sibanda, Rinaldo Wander Montalvão, Suzanne Brewerton, Vijayalakshmi Chelliah, Catherine L Worth, Nicholas J Harmer, Owen Davies, David Burke

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

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.
Original languageEnglish
JournalPhilosophical Transactions of the Royal Society B: Biological Sciences
Volume361
Issue number1467
Early online date3 Feb 2006
DOIs
Publication statusPublished - 29 Mar 2006

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