Revealing Monoamine Oxidase B Catalytic Mechanisms by Means of the Quantum Chemical Cluster Approach

Journal of Chemical Information and Modeling

Volumn 55, Issue 7, 2015, Pages 1349-1360

  Zapata Torres, Gerald ^a   Fierro, Angélica ^b   Barriga González, German ^c   Salgado, J Cristian ^a   Celis Barros, Cristian ^c  

^a UNIVERSITY OF CHILE   (Chile)

^b PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^c UNIVERSIDAD ANDRÉS BELLO   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; CATALYSIS; ENERGY BARRIERS; FREE ENERGY; HYDRIDES; NEUROPHYSIOLOGY; QUANTUM THEORY; SUBSTRATES;

CATALYTIC MECHANISMS; HYDRIDE TRANSFERS; MONOAMINE OXIDASE B; NUCLEOPHILIC MECHANISMS; OXIDATIVE DEAMINATION; PHENYLETHYLAMINES; RATE DETERMINING STEP; THEORETICAL POINTS;

QUANTUM CHEMISTRY;

4-NITROBENZYLAMINE; AMINE OXIDASE (FLAVIN CONTAINING); BENZYLAMINE; BENZYLAMINE DERIVATIVE; PHENETHYLAMINE DERIVATIVE; WATER;

BIOCATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; KINETICS; METABOLISM; PROTEIN MOTIF; QUANTUM THEORY; THERMODYNAMICS;

AMINO ACID MOTIFS; BENZYLAMINES; BIOCATALYSIS; HUMANS; KINETICS; MODELS, MOLECULAR; MONOAMINE OXIDASE; PHENETHYLAMINES; QUANTUM THEORY; THERMODYNAMICS; WATER;

EID: 84938092652     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.5b00140     Document Type: Article

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