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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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Published in:Chemical reviews 2007-10, Vol.107 (10), p.4414-4435
Main Authors: Siegbahn, Per E. M, Tye, Jesse W, Hall, Michael B
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Language:English
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description Computational studies of hydrogenases are presented and discussed. Emphasis is placed on calculations of hydrogen bond creation and cleavage by enzymes.
doi_str_mv 10.1021/cr050185y
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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
title Computational Studies of [NiFe] and [FeFe] Hydrogenases
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