3D QSAR in Drug Design

Recent Advances

Inbunden, Engelska, 1998

Av Yvonne C. Martin, Gerd Folkers, Hugo Kubinyi, Gerd Folkers, Yvonne C. Martin

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Volumes 2 and 3 of the "3D QSAR in Drug Design" series aim to review the progress being made since the publication of the first volume. Volume 2 "Ligand-Protein Interactions and Molecular Similarity" divides into three sections dealing with: ligand-protein interactions; quantum chemical models and molecular dynamics simulations; and pharmacophore modelling and molecular similarity, respectively. This volume, Volume 3 "Recent Advances", is also divided into three sections, namely: 3D QSAR methodology - CoMFA and related approaches, receptor models and other 3D QSAR approaches; and 3D QSAR applications. More than 70 scientists have contributed nearly 40 reviews of their work and related research to these two volumes, which present coverage of recent developments in all fields of 3D QSAR.

Produktinformation

Utgivningsdatum1998-04-30
Mått160 x 241 x 27 mm
Vikt778 g
FormatInbunden
SpråkEngelska
SerieThree-Dimensional Quantitative Structure Activity Relationships
Antal sidor353
FörlagKluwer Academic Publishers
ISBN9780792347910

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3D QSAR Methodology CoMFA and Related Approaches.- 3D QSAR: Current State, Scope, and Limitations.- Recent Progress in CoMFA Methodology and Related Techniques.- Improving the Predictive Quality of CoMFA Models.- Cross-Validated R2 Guided Region Selection for CoMFA Studies.- GOLPE-Guided Region Selection.- Comparative Molecular Similarity Indices Analysis: CoMSIA.- Alternative Partial Least-Squares (PLS) Algorithms.- Receptor Models and Other 3D QSAR Approaches.- Receptor Surface Models.- Pseudoreceptor Modelling in Drug Design: Applications of Yak and PrGen.- Genetically Evolved Receptor Models (GERM) as a 3D QSAR Tool.- 3D QSAR of Flexible Molecules Using Tensor Representation.- Comparative Molecular Moment Analysis (CoMMA).- 3D QSAR Applications.- The CoMFA Steroids as a Benchmark Dataset for Development of 3D QSAR Methods.- Molecular Similarity Characterization Using CoMFA.- Building a Bridge between G-Protein-Coupled Receptor Modelling, Protein Crystallography and 3D QSAR Studies for Ligand Design.- A Critical Review of Recent CoMFA Applications.