Molecular modeling : basic principles and applications - Holtje, Hans-Dieter. (Weinheim : Wiley-VCH, 2008)
Introduction -- Small molecules -- A case study for small molecule modeling: dopamine Db3(B, receptor antagonists -- Introduction to comparative protein modeling -- Virtual screening and docking -- Scope and limits of molecular docking -- Chemogenomic approaches to rational drug design -- A case study for protein modeling: the nuclear hormone receptor CAR as an example for comparative modeling and the analysis of protein-ligand complexes.s
Includes bibliographical references and index.
Keywords: Biomolecules -- Structure -- Computer simulation; Proteins -- Structure -- Computer simulation; Molecules -- Models -- Computer simulation; Drugs -- Design -- Computer simulation; Ligand binding (Biochemistry) -- Computer simulation