Calculations on the structure and spectral properties of cytochrome c 551 using DFT and ONIOM methods

Journal of Physical Chemistry A

Volumn 115, Issue 13, 2011, Pages 2866-2876

  Rajapandian, V ^a   Subramanian, V ^a  

^a CENTRAL LEATHER RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; COMPACT STRUCTURES; CYTOCHROME C; ELECTRONIC TRANSITION ENERGIES; EXPERIMENTAL VALUES; HYBRID EXCHANGE; ORBITALS; OXIDATION STATE; SPECTRAL PROPERTIES; TIME-DEPENDENT DFT; TWO LAYERS;

DENSITY FUNCTIONAL THEORY; IRON COMPOUNDS; METAL IONS; MOLECULAR ORBITALS; OXIDATION; PROTEINS;

GEOMETRY;

BACTERIAL PROTEIN; CYTOCHROME C; CYTOCHROME C(551); PORPHYRIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME ACTIVE SITE; QUANTUM THEORY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BACTERIAL PROTEINS; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME C GROUP; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PORPHYRINS; QUANTUM THEORY; THERMODYNAMICS;

EID: 79953267102     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp110983v     Document Type: Article

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