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Drug Discov Today. 2002 Jan 1;7(1):64-70.

Virtual screening and fast automated docking methods.

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F. Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel, Switzerland.


Recent advances in high-throughput protein structure determination and in computational chemistry have refocused attention on virtual screening and fast automated docking methods. This review provides a brief introduction to the basic ideas and outlines computational tools currently used. We also provide several examples of where virtual screening has proved successful, highlighting the usefulness of the approach.

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[Indexed for MEDLINE]

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