title: Virtual screening and fast automated docking methods.
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.
authors.affiliation: F. Hoffmann-La Roche, Pharmaceuticals Division, CH-4070 Basel, Switzerland. gisbert.schneider@roche.com
authors.forename: Gisbert
authors.initials: G
authors.lastname: Schneider
authors.forename: Hans-Joachim
authors.initials: HJ
authors.lastname: Böhm
mesh_terms: D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D015195:Drug Design; D004353:Drug Evaluation, Preclinical; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D006801:Humans; D008968:Molecular Conformation; D059005:Topoisomerase II Inhibitors
chemical_list: D004791:Enzyme Inhibitors; D059005:Topoisomerase II Inhibitors