文档介绍：Comprehensive Medicinal Chemistry II
Volume 4 : Computer-Assisted Drug
Design
Elsevier, 2006
Editors-in-Chief: John B. Taylor and David J. Triggle
ISBN: 0-08-044513-6 (set)
Introduction puter-Assisted Drug Design
Introduction to the Volume and Overview puter-Assisted Drug Design
in the Drug Discovery Process, Pages 1-11, . Mason
Introduction puter-Assisted Drug Design – Overview and Perspective
for the Future, Pages 13-41, . Marshall and . Taylor
Quantitative Structure–Activity Relationship – A Historical Perspective and
the Future, Pages 43-63, C. Hansch and C. Selassie
Structure-Based Drug Design – A Historical Perspective and the Future,
Pages 65-86, . Abraham
Core Concepts and Methods - Ligand-Based
Ligand-Based Approaches: Core Molecular Modeling, Pages 87-118, . Leach
Pharmacophore Modeling: 1 – Methods, Pages 119-147, . Martin
Predictive Quantitative Structure–Activity Relationship Modeling,
Pages 149-165, A. Tropsha
Selection Using Measures of Similarity and Dissimilarity,
Pages 167-192, . Gillet and P. Willett
Core Concepts and Methods - Target Structure-Based
Structural, Energetic, and Dynamic Aspects of Ligand–Receptor Interactions,
Pages 193-213, D. Motiejunas and . Wade
Modeling of Drug Target Proteins, Pages 215-236, N. Eswar
and A. Sali
Characterization of Protein-Binding Sites and Ligands Using Molecular
Interaction Fields, Pages 237-253, G. Cruciani, E. Carosati, . Wade and M.
Baroni
Docking and Scoring, Pages 255-281, . Stouten and . Kroemer
De Novo Design, Pages 283-305, . Todorov, . Alberts and . Dean
Core Methods and Applications - Ligand and Structure-Based
Library Design: Ligand and Structure-Based Principles for Parallel
binatorial Libraries, Pages 307-336, . Schnur, . Tebben and .