Structural and Mechanistic Enzymology
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.
Key Features
- 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
Readership
Biochemists, biophysicists, cell biologists, protein chemists, structural geneticists, and structural biologists
Table of Contents
- Structural and Computational Enzymology: Bringing Experiments and Computations Together
- Structural and Functional Analysis of Proteins by High-Speed Atomic Force Microscopy
- Reaction Intermediates Discovered in Crystal Structures of Enzymes
- Structural, Functional and Mutagenesis Studies of UDP-Glycosyltransferases
- Vipoxin and its Components: Structure – Function Relationship
- Experimental and Theoretical Studies of Enzyme-Catalyzed Hydrogen Transfer Reactions
- Protein Flexibility and Enzymatic Catalysis
- Molecular Modeling of Inhibitors of Human DNA Methyltransferase with a Crystal Structure: Discovery of a Novel DNMT1 Inhibitor
- In Silico Strategies Towards Enzyme Function and Dynamics
- Dynamic Simulations as a Complement to Experimental Studies of Enzyme Mechanisms
- The Increasing Role of QM/MM in Drug Discovery
- Probing Allostery and Binding Cooperativity of the Catalytic Subunit of Protein Kinase A by NMR Spectroscopy and Molecular Dynamics Simulations
- Using a Combination of Computational and Experimental Techniques to Understand the Molecular Basis for Protein Allostery
Wanting Jiao and Emily J. Parker
Tatyana Karabencheva and Christo Christov
Arivazhagan Rajendran, Masayuki Endo and Hiroshi Sugiyama
Irene T. Weber, Johnson Agniswamy, Guoxing Fu, Chen-Hsiang Shen and Robert W. Harrison
Vatsala Malik and Gary W Black
S. D. Petrova, V. N. Atanasov and K. Balashev
Zhen Wang, Daniel Roston and Amnon Kohen
M. Kokkinidis, N. M. Glykos and V. E. Fadouloglou
Jakyung Yoo, Joo Hee Kim, Keith D. Robertson and José L. Medina-Franco
Sílvia G. Estácio
Andrew Christofferon, Lifeng Zhao and Qiang Pei
Alessio Lodola and Marco De Vivo
Larry R. Masterson, Alessandro Cembran, Lei Shi and Gianluigi Veglia
Product details
- No. of pages: 472
- Language: English
- Copyright: © Academic Press 2012
- Published: May 29, 2012
- Imprint: Academic Press
- eBook ISBN: 9780123983183
- Hardcover ISBN: 9780123983121
About the Serial Volume Editors
Christo Christov
Dr. Christo Z. Christov teaches at Northumbria University, Ellison Building, Newcastle-upon-Tyne, UK
Affiliations and Expertise
Department of Chemistry, Michigan Technological University, Houghton, MI, USA
Tatyana Karabencheva-Christova
Dr. Tatyana Karabencheva-Christova works at the Department of Applied Sciences, University of Northumbria, UK.
Affiliations and Expertise
Department of Chemistry, Michigan Technological University, Houghton, MI, USA
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