Molecular Modeling and Prediction of Bioactivity

ISBN 10: 0306462176 / ISBN 13: 9780306462177

Editore: Springer, 2000

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Dati bibliografici

• Titolo: Molecular Modeling and Prediction of Bioactivity
• Editore: Springer
• Data di pubblicazione: 2000
• Lingua: Inglese
• ISBN 10: 0306462176
• ISBN 13: 9780306462177
• Rilegatura: Paperback
• Condizione: Like New
• Tipo di libro: book

Descrizione articolo

Riassunto

The book covers the challenging process from lead finding to drug candidates. Focus is upon the potential usefulness of methods for design of lead discovery libraries, lead optimization, computational chemistry methods for the calculation of energetics of protein-ligand interaction, and computer simulations of biological activities. Important topics include new developments in chemometrics and rational molecular design as well as different aspects of structure representation, knowledge-based approaches to structure identification and information handling.

Contenuti

Section I: Overview. . Section II: New Developments and Applications of Multivariate QSAR. Section III: The Future of 3D-QSAR. Section IV: Prediction of Ligand-Protein Binding. Section VI:Affinity and Efficacy Models of G-Protein Coupled Receptors. Section VII: New Methods in Drug DiscoverySection VIII: Modeling of Membrane Penetration. Section IX: Poster Presentations. Poster Session I: New Developments and Applications of Multivariate QSAR. Poster Session II: The Future of 3D-QSAR. Poster Session III: Prediction of Ligand-Protein Binding. Poster Session IV: Computational Aspects of Molecular Diversity and Combinatorial Libraries. Poster Session V: Affinity and Efficacy Models of G-Protein Coupled Receptors. Poster Session VI: New Methods in Drug Discovery. Poster Session VII: Modelling of Membrane Penetration. Author Index. Subject Index.