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Protein crystallography lead optimization

AutoDock (http //autodock.scripps.edu/) which is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock has applications in X-ray crystallography, lead optimization, structure-based design, combinatorial chanistry, protein-protein docking and chemical mechanism studies... [Pg.259]

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Lead optimization

Protein crystallography

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