Computational Studies of [NiFe] and [FeFe] Hydrogenases

Computational studies of hydrogenases are presented and discussed. Emphasis is placed on calculations of hydrogen bond creation and cleavage by enzymes.

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Bibliographic Details
Published in:Chemical reviews 2007-10, Vol.107 (10), p.4414-4435
Main Authors: Siegbahn, Per E. M, Tye, Jesse W, Hall, Michael B
Format: Article
Language:English
Subjects:
Algorithms
Binding Sites
Biochemistry
Carbon Monoxide - pharmacology
Catalysis
Chemical reactions
Chemistry
Computational Biology
Cyanides - chemistry
Cyanides - metabolism
Electric Power Supplies
Enzyme Activation
Enzyme Inhibitors - pharmacology
Enzymes
Hydrogen
Hydrogen - chemistry
Hydrogen - metabolism
Hydrogen bonds
Hydrogen-Ion Concentration
Hydrogenase - chemistry
Hydrogenase - metabolism
Iron-Sulfur Proteins - chemistry
Iron-Sulfur Proteins - metabolism
Mathematical models
Models, Chemical
Oxidation-Reduction
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Description
Summary:Computational studies of hydrogenases are presented and discussed. Emphasis is placed on calculations of hydrogen bond creation and cleavage by enzymes.
ISSN:0009-2665
1520-6890
DOI:10.1021/cr050185y