Chapter 7 Molecular and quantum mechanics in drug designing

Chapters in this book

1. Frontmatter I
2. Acknowledgments V
3. Contents VII
4. Chapter 1 Introduction to computer-aided drug design (CADD) 1
5. Chapter 2 Quantitative structure–activity relationship 17
6. Chapter 3 Physicochemical parameters and QSAR 34
7. Chapter 4 Quantitative models in QSAR 53
8. Chapter 5 3D-QSAR in drug designing 80
9. Chapter 6 Statistical approaches used in the QSAR 105
10. Chapter 7 Molecular and quantum mechanics in drug designing 139
11. Chapter 8 Energy minimization techniques in molecular modeling 160
12. Chapter 9 Molecular docking and drug–receptor interactions 182
13. Chapter 10 ADMET analysis in CADD 221
14. Chapter 11 De novo drug designing approaches 248
15. Chapter 12 Homology modeling 269
16. Chapter 13 Pharmacophore mapping in computer-aided drug designing (CADD) 293
17. Chapter 14 Virtual screening approaches in the computer-aided drug designing 316
18. Index 337