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Computational Drug Design: A Guide for Computational and Medicinal Chemists

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ÁöÀºÀÌ :  Young
¹ßÇàÀÏ :  2009 ³â
ISBN :  9780470126851
Á¤Çà°¡ :  47,000 ¿ø
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ÃâÆÇ»ç :  Wiley

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Principles of Biochemistry
Drug Discovery: Practices, Processes, and Perspectives

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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
¢ºAppendix