QM/MM investigation of structure and spectroscopic properties of a vanadium-containing peroxidase

Journal of Inorganic Biochemistry

Volumn 102, Issue 8, 2008, Pages 1684-1690

  Zhang, Yuan ^a   Gascón, José A ^a  

^a UNIVERSITY OF CONNECTICUT   (United States)

Author keywords

QM MM calculations; Vanadium dependent chloroperoxidase

Indexed keywords

CHLORIDE PEROXIDASE; VANADIUM;

ARTICLE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; ENZYME STRUCTURE; EXCITATION; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON TRANSPORT; QUANTUM MECHANICS; SPECTROSCOPY; ULTRAVIOLET SPECTROSCOPY;

BINDING SITES; CHLORIDE PEROXIDASE; MODELS, MOLECULAR; PROTEIN CONFORMATION; QUANTUM THEORY; SPECTRUM ANALYSIS; WATER;

EID: 47049118079     PISSN: 01620134     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jinorgbio.2008.04.006     Document Type: Article

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