Both strategies for investigation (computational and experimental) in structural and mechanistic Enzymology have developed to some extent independently. However, over the last few years a trend has emerged for strengthening their integration. This combination not only brings together computations and experiments focused on the same enzymatic problems, but also provides complementary insights into the investigated properties and has a powerful synergy effect. This thematic volume of Advances in Protein Chemistry and Structural Biology focuses on the recent success in structural and mechanistic enzymology and has its main emphasis on explaining the enzyme phenomena by using both the experimental and computational approaches. The selected contributions demonstrate how the application of a variety of experimental techniques and modeling methods helps further the understanding of enzyme dynamics, mechanism, inhibition, and drug design.
Focuses on the recent success in structural and mechanistic enzymology.
Has its main emphasis on explaining the enzyme phenomena by using both the experimental and computational approaches.
Demonstrates how the application of a variety of experimental techniques and modeling methods helps further the understanding of enzyme dynamics, mechanism, inhibition, and drug design.
1. Cover image 2. Title page 3. Table of Contents 4. Copyright Page 5. Chapter 1: Structural and Computational Enzymology 6. Chapter 2: Structural and Functional Analysis of Proteins by High-Speed Atomic Force Microscopy 7. Chapter 3: Reaction Intermediates Discovered in Crystal Structures of Enzymes 8. Chapter 4: Structural, Functional, and Mutagenesis Studies of UDP-Glycosyltransferases 9. Chapter 5: Vipoxin and Its Components 10. Chapter 6: Experimental and Theoretical Studies of Enzyme-Catalyzed Hydrogen-Transfer Reactions 11. Chapter 7: Protein Flexibility and Enzymatic Catalysis 12. Molecular Modeling of Inhibitors of Human DNA Methyltransferase with a Crystal Structure 13. Chapter 9: In Silico Strategies Toward Enzyme Function and Dynamics 14. Dynamic Simulations as a Complement to Experimental Studies of Enzyme Mechanisms 15. Chapter 11: The Increasing Role of QM/MM in Drug Discovery 16. Chapter 12: Allostery and Binding Cooperativity of the Catalytic Subunit of Protein Kinase A by NMR Spectroscopy and Molecular Dynamics Simulations 17. Using a Combination of Computational and Experimental Techniques to Understand the Molecular Basis for Protein Allostery 18. Author Index 19. Subject Index
Both strategies for investigation (computational and experimental) in structural and mechanistic Enzymology have developed to some extent independently. However, over the last few years a trend has emerged for strengthening their integration. This combination not only brings together computations and experiments focused on the same enzymatic problems, but also provides complementary insights into the investigated properties and has a powerful synergy effect. This thematic volume of Advances in Protein Chemistry and Structural Biology focuses on the recent success in structural and mechanistic enzymology and has its main emphasis on explaining the enzyme phenomena by using both the experimental and computational approaches. The selected contributions demonstrate how the application of a variety of experimental techniques and modeling methods helps further the understanding of enzyme dynamics, mechanism, inhibition, and drug design.
Focuses on the recent success in structural and mechanistic enzymology.
Has its main emphasis on explaining the enzyme phenomena by using both the experimental and computational approaches.
Demonstrates how the application of a variety of experimental techniques and modeling methods helps further the understanding of enzyme dynamics, mechanism, inhibition, and drug design.
1. Cover image 2. Title page 3. Table of Contents 4. Copyright Page 5. Chapter 1: Structural and Computational Enzymology 6. Chapter 2: Structural and Functional Analysis of Proteins by High-Speed Atomic Force Microscopy 7. Chapter 3: Reaction Intermediates Discovered in Crystal Structures of Enzymes 8. Chapter 4: Structural, Functional, and Mutagenesis Studies of UDP-Glycosyltransferases 9. Chapter 5: Vipoxin and Its Components 10. Chapter 6: Experimental and Theoretical Studies of Enzyme-Catalyzed Hydrogen-Transfer Reactions 11. Chapter 7: Protein Flexibility and Enzymatic Catalysis 12. Molecular Modeling of Inhibitors of Human DNA Methyltransferase with a Crystal Structure 13. Chapter 9: In Silico Strategies Toward Enzyme Function and Dynamics 14. Dynamic Simulations as a Complement to Experimental Studies of Enzyme Mechanisms 15. Chapter 11: The Increasing Role of QM/MM in Drug Discovery 16. Chapter 12: Allostery and Binding Cooperativity of the Catalytic Subunit of Protein Kinase A by NMR Spectroscopy and Molecular Dynamics Simulations 17. Using a Combination of Computational and Experimental Techniques to Understand the Molecular Basis for Protein Allostery 18. Author Index 19. Subject Index
