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Insights into Enzyme Mechanisms and Functions from Experimental and Computational Methods, Volume 105 [Kõva köide]

Series edited by (Department of Chemistry, Michigan Technological University, Houghton, MI, USA)
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Enzymes Mechanisms and Dynamics: Insights from Experimental and Computational Methods is the latest volume in the popular Advances in Protein Chemistry and Structural Biology series, an essential resource for protein chemists. Each volume brings forth new information about protocols and analysis of proteins, with each thematically organized volume guest edited by leading experts in a broad range of protein-related topics.

  • Provides cutting-edge developments in protein chemistry and structural biology
  • Written by authorities in their respective fields
  • Targeted to a wide audience of researchers, specialists, and students

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Publishing cutting-edge developments in protein chemistry and structural biology, this comprehensive series, continues to be an essential resource for protein chemists
Contributors vii
Preface ix
1 Molecular Modeling and Chemoinformatics to Advance the Development of Modulators of Epigenetic Targets: A Focus on DNA Methyltransferases
1(26)
F. D. Prieto-Martinez
A. Pena-Castillo
O. Mendez-Lucio
E. Fernandez-de Gortari
J. L. Medina-Franco
1 Introduction
2(2)
2 Progress on Chemical Information
4(5)
3 Chemoinformatic Studies of DNMTs
9(7)
4 VS: Hit Identification and Optimization
16(3)
5 Computer-Assisted Drug Repurposing
19(1)
6 Food Chemicals as Potential Modulators of DNMTs and Other Epigenetic Targets
20(1)
7 Concluding Remarks
21(6)
Acknowledgments
22(1)
References
23(4)
2 Recent Advances in Computational Models for the Study of Protein-Peptide Interactions
27(32)
D. Kilburg
E. Gallicchio
1 Introduction
28(2)
2 Theory and Methods
30(9)
3 Sample Applications
39(12)
4 Concluding Remarks
51(8)
References
51(8)
3 Structural Plasticity in Globins: Role of Protein Dynamics in Defining Ligand Migration Pathways
59(22)
C. Estarellas
L. Capece
C. Seira
A. Bidon-Chanal
D. A. Estrin
F. J. Luque
1 Introduction
60(3)
2 Ligand Migration Pathways in the Globin Superfamily: Structure-Function Relationships
63(10)
3 The Coordination of the Heme Group and Its Role in Ligand Binding
73(3)
4 Conclusions
76(5)
Acknowledgments
77(1)
References
77(4)
4 Dynamic Reorganization and Enzymatic Remodeling of Type IV Collagen at Cell-Biomaterial Interface
81(24)
N. M. Coelho
V. Llopis-Hernandez
M. Salmeron-Sanchez
G. Altankov
1 Introduction
82(3)
2 Material and Methods
85(6)
3 Results and Discussion
91(9)
4 Conclusive Remarks
100(5)
References
101(4)
5 Cytochromes P450: History, Classes, Catalytic Mechanism, and Industrial Application
105(22)
D. J. Cook
J. D. Finnigan
K. Cook
G. W. Black
S. J. Charnock
1 Background and History of Cytochromes P450
106(4)
2 P450 Classes
110(4)
3 P450 Family Nomenclature
114(1)
4 Catalytic Cycle
115(2)
5 Uncoupling
117(2)
6 P450s in Industry
119(8)
References
123(4)
6 Understanding the Multifaceted Role of Human Down Syndrome Kinase DYRK1A
127(46)
L. J. Kay
T. K. Smulders-Srinivasan
M. Soundararajan
1 Introduction
128(1)
2 Minibrain in Drosophila
129(3)
3 Role of DYRK1A in Infection and Immunity
132(4)
4 Cardiovascular Function of DYRK1A
136(3)
5 Role of DYRK1A in Cancer
139(9)
6 Understanding the Neuronal Function of DYRK1A
148(9)
7 Concluding Remarks
157(16)
References
158(15)
Author Index 173(622)
Subject Index 795
Dr. Christo Z. Christov teaches at Northumbria University, Ellison Building, Newcastle-upon-Tyne, UK