Available:*
Library | Item Barcode | Call Number | Material Type | Item Category 1 | Status |
|---|---|---|---|---|---|
Searching... | 30000010302559 | QD431 S774 2012 | Open Access Book | Book | Searching... |
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Summary
Summary
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.
Author Notes
Dr. Tatyana Karabencheva-Christova works at the Department of Applied Sciences, University of Northumbria, UK.
Table of Contents
| Structural and Computational Enzymology: Bringing Experiments and Computations TogetherTatyana Karabencheva and Christo Christov |
| Structural and Functional Analysis of Proteins by High-Speed Atomic Force MicroscopyArivazhagan Rajendran and Masayuki Endo and Hiroshi Sugiyama |
| Reaction Intermediates Discovered in Crystal Structures of EnzymesIrene T. Weber and Johnson Agniswamy and Guoxing Fu and Chen-Hsiang Shen and Robert W. Harrison |
| Structural, Functional and Mutagenesis Studies of UDP-GlycosyltransferasesVatsala Malik and Gary W and Black |
| Vipoxin and its Components: Structure - Function RelationshipS. D. Petrova and V. N. Atanasov and K. Balashev |
| Experimental and Theoretical Studies of Enzyme-Catalyzed Hydrogen Transfer ReactionsZhen Wang and Daniel Roston and Amnon Kohen |
| Protein Flexibility and Enzymatic CatalysisM. Kokkinidis and N. M. Glykos and V. E. Fadouloglou |
| Molecular Modeling of Inhibitors of Human DNA Methyltransferase with a Crystal Structure: Discovery of a Novel DNMT1 InhibitorJakyung Yoo and Joo Hee Kim and Keith D. Robertson and José L. Medina-Franco |
| In Silico Strategies Towards Enzyme Function and DynamicsSílvia G. Estácio |
| Dynamic Simulations as a Complement to Experimental Studies of Enzyme MechanismsAndrew Christofferon and Lifeng Zhao and Qiang Pei |
| The Increasing Role of QM/MM in Drug DiscoveryAlessio Lodola and Marco De Vivo |
| Probing Allostery and Binding Cooperativity of the Catalytic Subunit of Protein Kinase A by NMR Spectroscopy and Molecular Dynamics SimulationsLarry R. Masterson and Alessandro Cembran and Lei Shi and Gianluigi Veglia |
| Using a Combination of Computational and Experimental Techniques to Understand the Molecular Basis for Protein AllosteryWanting Jiao and Emily J. Parker |
