Computational Drug Design: A Guide for Computational and Medicinal ChemistsISBN: 978-0-470-12685-1
Hardcover
344 pages
February 2009
 This is a Print-on-Demand title. It will be printed specifically to fill your order. Please allow an additional 15-20 days delivery time. The book is not returnable.
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Acknowledgements.
About the Author.
Symbols Used in This Book.
Book Abstract.
1. Introduction.
Part I: The Drug Design Process.
2. Properties that Make a Molecule a Good Drug.
3. Target Identification.
4. Target characterization.
5. The Drug Design Process for a Known Protein target.
6. The Drug Design Process for an Unknown target.
7. Drug Design for Other targets.
8. Compound Library Design.
Part II: computational Tools and Techniques.
9. Homology Model Building.
10. Molecular Mechanics.
11. Protein Folding.
12. Docking.
13. Pharmacophore Models.
14. QSAR.
15. 3D-QSAR.
16. Quantum Mechanics in Drug Design.
17. De novo and Other AI Techniques.
18. Cheminformatics.
19. ADMET.
20. Multiobjective Optimization.
21. Automation of Tasks.
Part III: Related Topics.
22. Bioinformatics.
23. Simulations at the Cellular and Organ Level.
24. Synthesis Route Prediction.
25. Proteomics.
26. Prodrug Approaches.
27. Future Developments in Drug design.
Appendix: About the CD.
Glossary.
Index.
Related Titles
Drug Discovery & Development
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