First half-reaction mechanism of nitric oxide synthase: The role of proton and oxygen coupled electron transfer in the reaction by quantum mechanics/molecular mechanics

Journal of Physical Chemistry B

Volumn 113, Issue 1, 2009, Pages 336-346

  Cho, Kyung Bin ^a   Carvajal, Maria Angels ^a,b   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; AMINO ACIDS; ELECTRON TRANSITIONS; ENZYMES; FREE RADICAL REACTIONS; HEMOGLOBIN; IRON COMPOUNDS; MECHANISMS; MOLECULAR MECHANICS; NITRIC OXIDE; OXYGEN; PORPHYRINS; POSITIVE IONS; PROTONS;

ACTIVE SITES; CATION RADICALS; COFACTOR; COMPOUND I; CRYSTAL WATERS; ELECTRON DONORS; ELECTRON SINKS; ELECTRON TRANSFERS; EN ROUTES; EXPERIMENTAL OBSERVATIONS; EXTERNAL SOURCES; HYDROPEROXIDE; MONOOXYGENATION; NEW MECHANISMS; NITRIC-OXIDE SYNTHASE; OXYGEN TRANSFERS; PORPHYRIN MOIETIES; PROTON COUPLED ELECTRON TRANSFERS; QUANTUM MECHANICAL/MOLECULAR MECHANICAL CALCULATIONS; REACTION MECHANISMS;

PROTON TRANSFER;

HEME; NITRIC OXIDE SYNTHASE; OXYGEN; PROTON;

ARTICLE; CHEMISTRY; DRUG ANTAGONISM; ELECTRON TRANSPORT; QUANTUM THEORY; STRUCTURE ACTIVITY RELATION;

ELECTRON TRANSPORT; HEME; NITRIC OXIDE SYNTHASE; OXYGEN; PROTONS; QUANTUM THEORY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 61749083669     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8073199     Document Type: Article

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