Computational definition of a mixed valent Fe(II)Fe(I) model of the [FeFe]hydrogenase active site resting state

Journal of Inorganic Biochemistry

Volumn 101, Issue 11-12, 2007, Pages 1752-1757

  Thomas, Christine M ^a   Darensbourg, Marcetta Y ^a   Hall, Michael B ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

FeFe H2ase active site; Biomimetic; DFT computation; Hydrogenase; N Heterocyclic carbene

Indexed keywords

CARBONYL DERIVATIVE; HYDROGENASE; IMIDAZOLE DERIVATIVE; IRON COMPLEX;

ARTICLE; CHEMICAL BINDING; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVE SITE; GEOMETRY; MOLECULAR DYNAMICS; OXIDATION; STRUCTURE ANALYSIS;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HYDROGENASE; IRON; IRON-SULFUR PROTEINS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY;

EID: 35348842145     PISSN: 01620134     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2007.06.037     Document Type: Article

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