Designing Bioactive Molecules: Three-Dimensional Techniques and Applications

By Y.C. Martin

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.

• Format: Hardcover
• Language: English
• ISBN: 0841234906
• ISBN13: 9780841234901
• Release Date: November 1997
• Publisher: American Chemical Society
• Length: 352 Pages
• Weight: 1.19 lbs.
• Dimensions: 0.8" x 6.3" x 9.1"