Structural and Mechanistic Enzymology:: Bringing Together Experiments and Computing

Overview

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 ...

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Structural and Mechanistic Enzymology:: Bringing Together Experiments and Computing

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Overview

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.

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Product Details

  • ISBN-13: 9780123983121
  • Publisher: Elsevier Science
  • Publication date: 6/12/2012
  • Pages: 472
  • Product dimensions: 6.20 (w) x 9.10 (h) x 1.10 (d)

Table of Contents

  1. Structural and Computational Enzymology: Bringing Experiments and Computations Together
  2. Tatyana Karabencheva and Christo Christov

  3. Structural and Functional Analysis of Proteins by High-Speed Atomic Force Microscopy
  4. Arivazhagan Rajendran, Masayuki Endo and Hiroshi Sugiyama

  5. Reaction Intermediates Discovered in Crystal Structures of Enzymes
  6. Irene T. Weber, Johnson Agniswamy, Guoxing Fu, Chen-Hsiang Shen and Robert W. Harrison

  7. Structural, Functional and Mutagenesis Studies of UDP-Glycosyltransferases
  8. Vatsala Malik and Gary W Black

  9. Vipoxin and its Components: Structure – Function Relationship
  10. S. D. Petrova, V. N. Atanasov and K. Balashev

  11. Experimental and Theoretical Studies of Enzyme-Catalyzed Hydrogen Transfer Reactions
  12. Zhen Wang, Daniel Roston and Amnon Kohen

  13. Protein Flexibility and Enzymatic Catalysis
  14. M. Kokkinidis, N. M. Glykos and V. E. Fadouloglou

  15. Molecular Modeling of Inhibitors of Human DNA Methyltransferase with a Crystal Structure: Discovery of a Novel DNMT1 Inhibitor
  16. Jakyung Yoo, Joo Hee Kim, Keith D. Robertson and José L. Medina-Franco

  17. In Silico Strategies Towards Enzyme Function and Dynamics
  18. Sílvia G. Estácio

  19. Dynamic Simulations as a Complement to Experimental Studies of Enzyme Mechanisms
  20. Andrew Christofferon, Lifeng Zhao and Qiang Pei

  21. The Increasing Role of QM/MM in Drug Discovery
  22. Alessio Lodola and Marco De Vivo

  23. Probing Allostery and Binding Cooperativity of the Catalytic Subunit of Protein Kinase A by NMR Spectroscopy and Molecular Dynamics Simulations
  24. Larry R. Masterson, Alessandro Cembran, Lei Shi and Gianluigi Veglia

  25. Using a Combination of Computational and Experimental Techniques to Understand the Molecular Basis for Protein Allostery Wanting Jiao and Emily J. Parker
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