Del 0 - Three-Dimensional Quantitative Structure Activity Relationships

3D QSAR in Drug Design

Recent Advances

Häftad, Engelska, 2010

AvHugo Kubinyi,Gerd Folkers,Yvonne C. Martin

2 749 kr

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Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication of the highly successful first volume about four years ago. 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. 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 seventy distinguished scientists have contributed nearly forty reviews of their work and related research to these two volumes which are of outstanding quality and timeliness. These works present an up-to-date coverage of the latest developments in all fields of 3D QSAR.

Produktinformation

Utgivningsdatum2010-12-04
Mått155 x 235 x 20 mm
Vikt552 g
FormatHäftad
SpråkEngelska
SerieThree-Dimensional Quantitative Structure Activity Relationships
Antal sidor353
FörlagSpringer
ISBN9789048149353

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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.