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Evaluations of Molecular Docking Programs for Virtual Screening

โœ Scribed by Onodera, Kenji; Satou, Kazuhito; Hirota, Hiroshi


Book ID
115489585
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
211 KB
Volume
47
Category
Article
ISSN
0095-2338

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The DOCK program explores possible orientations of a molecule within a macromolecular active site by superimposing atoms onto precomputed site points. Here we compare a number of different search methods, including an exhaustive matching algorithm based on a single docking graph. We evaluate the per