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 to Computer-Assisted Drug Design

4.01 Introduction to the Volume and Overview of Computer-Assisted Drug Design in the Drug Discovery Process, Pages 1-11, J.S. Mason

4.02 Introduction to Computer-Assisted Drug Design - Overview and Perspective for the Future, Pages 13-41, G.R. Marshall and C.M. Taylor

4.03 Quantitative Structure-Activity Relationship - A Historical Perspective and the Future, Pages 43-63, C. Hansch and C. Selassie

4.04 Structure-Based Drug Design - A Historical Perspective and the Future,

Pages 65-86, D.J. Abraham

Core Concepts and Methods - Ligand-Based

4.05 Ligand-Based Approaches: Core Molecular Modeling, Pages 87-118, A.R. Leach

4.06 Pharmacophore Modeling: 1 - Methods, Pages 119-147, Y.C. Martin

4.07 Predictive Quantitative Structure-Activity Relationship Modeling,

Pages 149-165, A. Tropsha

4.08 Compound Selection Using Measures of Similarity and Dissimilarity,

Pages 167-192, V.J. Gillet and P. Willett

Core Concepts and Methods - Target Structure-Based

4.09 Structural, Energetic, and Dynamic Aspects of Ligand-Receptor Interactions,

Pages 193-213, D. Motiejunas and R.C. Wade

4.10 Comparative Modeling of Drug Target Proteins, Pages 215-236, N. Eswar and A. Sali

4.11 Characterization of Protein-Binding Sites and Ligands Using Molecular Interaction Fields, Pages 237-253, G. Cruciani, E. Carosati, R.C. Wade and M. Baroni

4.12 Docking and Scoring, Pages 255-281, P.F.W. Stouten and R.T. Kroemer

4.13 De Novo Design, Pages 283-305, N.P. Todorov, I.L. Alberts and P.M. Dean Core Methods and Applications - Ligand and Structure-Based

4.14 Library Design: Ligand and Structure-Based Principles for Parallel and Combinatorial Libraries, Pages 307-336, D.M. Schnur, A.J. Tebben and C.L. Cavallaro

4.15 Library Design: Reactant and Product-Based Approaches, Pages 337-378, S.D. Pickett

4.16 Quantum Mechanical Calculations in Medicinal Chemistry: Relevant Method or a Quantum Leap Too Far?, Pages 379-420, A.A. Alex

Applications to Drug Discovery - Lead Discovery

4.17 Chemogenomics in Drug Discovery - The Druggable Genome and Target Class Properties, Pages 421-433, A.L. Hopkins and G.V. Paolini

4.18 Lead Discovery and the Concepts of Complexity and Lead-Likeness in the Evolution of Drug Candidates, Pages 435-458, M.M. Hann, A.R. Leach, J.N. Burrows and E. Griffen

4.19 Virtual Screening, Pages 459-494, A. Good

4.20 Screening Library Selection and High-Throughput Screening Analysis/Triage,

Applications to Drug Discovery - Ligand-Based Lead Optimization

4.21 Pharmacophore Modeling: 2 - Applications, Pages 515-536, Y.C. Martin

4.22 Topological Quantitative Structure-Activity Relationship Applications: Structure Information Representation in Drug Discovery, Pages 537-574, L.H. Hall, LB. Kier and L.M. Hall

4.23 Three-Dimensional Quantitative Structure-Activity Relationship: The State of the Art, Pages 575-595, A.M. Doweyko

Applications to Drug Discovery - Target Structure-Based

4.24 Structure-Based Drug Design - The Use of Protein Structure in Drug Discovery,

Pages 597-650, G. Lange

4.25 Applications of Molecular Dynamics Simulations in Drug Design, Pages 651-668,

C. Oostenbrink, M.M.H. van Lipzig and W.F. van Gunsteren

4.26 Seven Transmembrane G Protein-Coupled Receptors: Insights for Drug Design from Structure and Modeling, Pages 669-701, N. Barton, F.E. Blaney, S. Garland, B. Tehan and I. Wall

4.27 Ion Channels: Insights for Drug Design from Structure and Modeling, Pages 703-724, S. Haider and M.S.P. Sansom

4.28 Nuclear Hormone Receptors: Insights for Drug Design from Structure and Modeling, Pages 725-747, J.-P. Renaud, D. Moras and J.-M. Wurtz

4.29 Enzymes: Insights for Drug Design from Structure, Pages 749-766, MM. Flocco,

D.G. Brown and A. Pannifer

New Directions

4.30 Multiobjective/Multicriteria Optimization and Decision Support in Drug Discovery,

Pages 767-774, M. Afshar, A. Lanoue and J. Sallantin

4.31 New Applications for Structure-Based Drug Design, Pages 775-806, C.W. Murray and M.J. Hartshorn

4.32 Biological Fingerprints, Pages 807-818, R.V. Stanton and Q. Cao

Was this article helpful?

0 0

Post a comment