Molecular modeling basic principles and applications - Holtje, Hans-Dieter. (aWeinheim Wiley-VCH, 2008)
aIntroduction -- Small molecules -- A case study for small molecule modeling: dopamine D?, 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. 0
aIncludes bibliographical references and index.
Keywords: iomolecules -- Structure -- Computer simulation; roteins -- Structure -- Computer simulation; olecules -- Models -- Computer simulation; rugs -- Design -- Computer simulation; igand binding (Biochemistry) -- Computer simulation