Computational Drug Design: A Guide for Computational and Medicinal Chemists / Edition 1

Computational Drug Design: A Guide for Computational and Medicinal Chemists / Edition 1

by D. C. Young, Young, David C. Young
     
 

ISBN-10: 047012685X

ISBN-13: 9780470126851

Pub. Date: 02/12/2009

Publisher: Wiley

Helps you choose the right computational tools and techniques to meet your drug design goals  See more details below

Overview

Helps you choose the right computational tools and techniques to meet your drug design goals

Product Details

ISBN-13:
9780470126851
Publisher:
Wiley
Publication date:
02/12/2009
Edition description:
New Edition
Pages:
344
Sales rank:
1,162,260
Product dimensions:
6.30(w) x 9.30(h) x 1.20(d)

Table of Contents

Preface.

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.

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