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Designing Bioactive Molecules: Three-Dimensional Techniques and Applications

Designing Bioactive Molecules: Three-Dimensional Techniques and Applications (Hardback)

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Synopsis

Three-dimensional structural information often provides the key to discovering or designing bioactive molecules and compounds. This volume covers the principal computational techniques for processing three-dimensional structures of small molecules and compounds. It describes database construction and searching, analysis of structure-activity relationships by pharmacophore mapping and QSAR, prediction of biological potency of small molecules and compounds by QSAR and by docking to macromolecular targets. The book also includes a chapter on de novo design of ligands to fit a macromolecular target.

Computing & ITGraphical & digital media applications3D graphics & modellingScience & MathematicsBiology, life sciencesBiochemistry Publisher: American Chemical Society Publication Date: 09/07/1998 ISBN-13: 9780841234901  Details: Type: Hardback Format: Books
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