Buch, Englisch, 352 Seiten, Format (B × H): 157 mm x 235 mm, Gewicht: 534 g
Three-Dimensional Techniques and Applications
Buch, Englisch, 352 Seiten, Format (B × H): 157 mm x 235 mm, Gewicht: 534 g
Reihe: Computer Applications in Chemistry Collection
ISBN: 978-0-8412-3490-1
Verlag: American Chemical Society
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.
