Toward a Computational Description of Nitrile Hydratase: Studies of the Ground State Bonding and Spin-Dependent Energetics of Mononuclear, Non-Heme Fe(III) Complexes

Inorganic Chemistry

Volumn 43, Issue 2, 2004, Pages 458-472

  Chang, Christopher H ^a   Boone, Amy J ^a,b   Bartlett, Rodney J ^a   Richards, Nigel G J ^a  

^a University of Florida ^*  (United States)

^b UNIVERSITY OF NORTH CAROLINA SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENZYME; HEME; IRON COMPLEX; LIGAND; METAL; NITRILE HYDRATASE; NITROGEN; SULFUR;

ACCELERATION; ARTICLE; CALCULATION; CHEMICAL BINDING; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; ENZYME ACTIVITY; QUANTITATIVE ANALYSIS; SPECTROSCOPY; SYNTHESIS;

CHEMISTRY, PHYSICAL; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; HYDRO-LYASES; HYDROGEN BONDING; MODELS, MOLECULAR; NONHEME IRON PROTEINS;

EID: 1642559173     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic0350032     Document Type: Article

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