Research Catalog

Title

Computational drug design : a guide for computational and medicinal chemists / David C. Young.

Author

Young, David C., 1964-

Publication

Hoboken, N.J. : John Wiley & Sons, [2009], ©2009.

Items in the Library & Off-site

Details

Description

xxxvi, 307 pages : illustrations; 25 cm +

Subjects

• Models, Chemical
• Drugs > Design > Mathematical models
• Drug Delivery Systems
• Drugs > Design > Data processing
• Computational Biology > methods
• Biochemical Phenomena
• Drug Design
• Chemistry, Pharmaceutical > methods

Bibliography (note)

• Includes bibliographical references and index.

Contents

1. Introduction -- Pt. 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 -- Pt. 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 -- Pt. 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.

ISBN

• 9780470126851 (cloth/CD)
• 047012685X (cloth/CD)

LCCN

2008041828

OCLC

• ocn246887517
• 246887517
• SCSB-5466357

Owning Institutions

Columbia University Libraries