Redox potentials and protonation of the A-cluster from acetyl-CoA synthase. A density functional theory study

Journal of Physical Chemistry A

Volumn 117, Issue 47, 2013, Pages 12484-12496

  Chmielowska, Aleksandra ^a   Lodowski, Piotr ^a   Jaworska, Maria ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC CYCLES; DENSITY FUNCTIONAL THEORY STUDIES; GEOMETRY OPTIMIZATION; METAL-METAL INTERACTIONS; POLARIZED CONTINUUM MODELS; REDOX POTENTIALS; REDUCTION POTENTIAL; REDUCTIVE ACTIVATION;

ALKYLATION; CONTINUUM MECHANICS; ELECTRONIC STRUCTURE; REDOX REACTIONS;

DENSITY FUNCTIONAL THEORY;

LONG CHAIN FATTY ACID COENZYME A LIGASE; PROTON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; OXIDATION REDUCTION REACTION; QUANTUM THEORY;

COENZYME A LIGASES; MODELS, MOLECULAR; OXIDATION-REDUCTION; PROTONS; QUANTUM THEORY;

EID: 84889047534     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp402616e     Document Type: Article

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