Understanding rubredoxin redox sites by density functional theory studies of analogues

Journal of Physical Chemistry A

Volumn 116, Issue 35, 2012, Pages 8918-8924

  Luo, Yan ^a   Niu, Shuqiang ^a   Ichiye, Toshiko ^a,b  

^a GEORGETOWN UNIVERSITY   (United States)

^b NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BROKEN SYMMETRY; DETACHMENT ENERGY; ELECTRON DETACHMENT ENERGIES; ELECTRON TRANSFER; ELECTROSTATIC CALCULATIONS; ELECTROSTATIC POTENTIAL CHARGES; GASPHASE; METALLO-PROTEINS; OPTIMIZED GEOMETRIES; OXIDATION AND REDUCTION; REDOX ENERGETICS; REDOX SITES; REDOX STATE; REORGANIZATION ENERGIES; RUBREDOXIN;

CONFORMATIONS; CRYSTAL STRUCTURE; DETOXIFICATION; DIHEDRAL ANGLE; ELECTRON TRANSITIONS; ELECTROSTATICS; LIGANDS; PHOTOELECTRON SPECTROSCOPY; PROTEINS; SODIUM;

DENSITY FUNCTIONAL THEORY;

RUBREDOXIN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; OXIDATION REDUCTION REACTION; QUANTUM THEORY; THERMODYNAMICS;

BINDING SITES; ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OXIDATION-REDUCTION; QUANTUM THEORY; RUBREDOXINS; THERMODYNAMICS;

EID: 84865975185     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp3057509     Document Type: Article

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