A comparative computational investigation on the proton and hydride transfer mechanisms of monoamine oxidase using model molecules

Computational Biology and Chemistry

Volumn 47, Issue , 2013, Pages 181-191

  Atalay, Vildan Enisoǧlu ^a   Erdem, Safiye Saǧ ^b  

^a USKUDAR UNIVERSITY   (Turkey)

^b MARMARA UNIVERSITY   (Turkey)

Author keywords

DFT methods; Enzyme mechanisms; FAD; Flavoenzymes; Monoamine oxidase; Water assisted mechanism

Indexed keywords

ACTIVATION ENERGY; DESIGN FOR TESTABILITY; ELECTRON TRANSITIONS; ENZYMES; MODEL STRUCTURES; NEUROPHYSIOLOGY; NOREPINEPHRINE; OXIDATION; PROTON TRANSFER;

DFT METHOD; ENZYME MECHANISM; FAD; FLAVOENZYMES; MONOAMINE OXIDASE;

HYDRIDES;

AMINE OXIDASE (FLAVIN CONTAINING); FLAVINE ADENINE NUCLEOTIDE; PROTON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; DFT METHODS; ENZYME MECHANISMS; FLAVOENZYMES; METABOLISM; QUANTUM THEORY; WATER-ASSISTED MECHANISM;

DFT METHODS; ENZYME MECHANISMS; FAD; FLAVOENZYMES; MONOAMINE OXIDASE; WATER-ASSISTED MECHANISM;

MODELS, MOLECULAR; MONOAMINE OXIDASE; PROTONS; QUANTUM THEORY;

EID: 84885634623     PISSN: 14769271     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compbiolchem.2013.08.007     Document Type: Article

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