Computational kinetic modeling of the selenol catalytic activity as the glutathione peroxidase nanomimic

Density functional theory and solvent-assisted proton exchange methods have been applied for computational modeling of the catalytic cycle of selenol zwitterion anion from the kinetic and thermodynamic viewpoints. Selenol zwitterion anion has been represented as an effective glutathione peroxidase n...

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Veröffentlicht in:	Journal of theoretical biology 2016-11, Vol.409, p.108-114
Hauptverfasser:	Kheirabadi, Ramesh, Izadyar, Mohammad, Housiandokht, Mohammad Reza
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalysis Computer Simulation Glutathione Glutathione Peroxidase - chemistry Kinetic modeling Kinetics Models, Chemical Nanomimic Peroxidase Selenium Compounds - chemistry Selenol Solvent assisted proton exchange
Online-Zugang:	Volltext
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