New Model for a Theoretical Density Functional Theory Investigation of the Mechanism of the Carbonic Anhydrase: How Does the Internal Bicarbonate Rearrangement Occur?

Journal of the American Chemical Society

Volumn 126, Issue 5, 2004, Pages 1542-1550

  Bottoni, Andrea ^a   Lanza, Camilla Zaira ^a   Miscione, Gian Pietro ^a   Spinelli, Domenico ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; HYDROGEN BONDS; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION; PROTONS;

PROTON TRANSFER;

CARBONATES;

BICARBONATE; CARBONATE DEHYDRATASE; GLUTAMIC ACID; THREONINE; WATER;

ARTICLE; CATALYST; CHEMICAL MODEL; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; METAL BINDING; PROTON TRANSPORT;

BICARBONATES; CARBONIC ANHYDRASE II; GLUTAMIC ACID; MODELS, CHEMICAL; MODELS, MOLECULAR; THERMODYNAMICS; THREONINE; WATER; ZINC;

EID: 1042299849     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja030336j     Document Type: Article

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