Structural and Mechanistic Enzymology: Volume 87

Structural and Mechanistic Enzymology: Volume 87 : Bringing Together Experiments and Computing

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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.
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Product details

  • Hardback | 472 pages
  • 157.48 x 231.14 x 27.94mm | 884.5g
  • Academic Press Inc
  • San Diego, United States
  • English
  • Revised ed.
  • 0123983126
  • 9780123983121
  • 892,325

Table of contents

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

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

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

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

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

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

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

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

In Silico Strategies Towards Enzyme Function and Dynamics
Silvia G. Estacio

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

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

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

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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About Tatyana Karabencheva-Christova

Dr. Tatyana Karabencheva-Christova works at the Department of Applied Sciences, University of Northumbria, UK.
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