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Virtual screening and fast automated docking methods
Gisbert Schneider1, Hans-Joachim Böhm
1F. Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel, Switzerland. gisbert.schneider@roche.com
Drug Discovery Today
|January 16, 2002
Abstract:
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.
