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Author: Folkers, Gerd, Kubinyi, Hugo, Martin, Yvonne Connolly, 1936-, ebrary, Inc

Added by: sketch

Added Date: 2015-12-30

Language: eng

Subjects: Drugs, QSAR (Biochemistry)

Publishers: London ; Dordrecht : Kluwer Academic Publishers

Collections: folkscanomy miscellaneous, folkscanomy, additional collections

ISBN Number: 978-0-7923-4791-0

Pages Count: 300

PPI Count: 300

PDF Count: 1

Total Size: 193.09 MB

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Description

3D QSAR in Drug Design: Recent Advances
Author: Hugo Kubinyi, Gerd Folkers, Yvonne C. Martin
Published by Springer Netherlands
ISBN: 978-0-7923-4791-0
DOI: 10.1007/0-306-46858-1

Table of Contents:

  • 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 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)
  • 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

Includes index

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