About the Author.
Symbols Used in This Book.
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.
13. Pharmacophore Models.
16. Quantum Mechanics in Drug Design.
17. De novo and Other AI Techniques.
20. Multiobjective Optimization.
21. Automation of Tasks.
Part III: Related Topics.
23. Simulations at the Cellular and Organ Level.
24. Synthesis Route Prediction.
26. Prodrug Approaches.
27. Future Developments in Drug design.
Appendix: About the CD.
“The book has been written in very lucid and readable language.” (Journal of Medicinal Chemistry, August 2009)
“As the author states, ‘this book is very industry-centric’ and was designed to explore the drug design process through the computational techniques that are used in a typical pharmaceutical industry.” (JACS Book Reviews, June 2009)