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DFT investigation on the metabolic mechanisms of theophylline by cytochrome P450 monooxygenase

Article ID Journal Published Year Pages File Type
6877345 Journal of Molecular Graphics and Modelling 2018 9 Pages PDF
Keywords
N-demethylationKinetic isotope effecttheophyllinecytochrome P450 monooxygenaseDensity functional theory
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
DFT investigation on the metabolic mechanisms of theophylline by cytochrome P450 monooxygenase
Authors
Fan Rao, Zeqin Chen, Dagang Zhou, Yuan Kang, Linfeng Guo, Ying Xue,
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Journal
Journal of Molecular Graphics and Modelling
Journal: Journal of Molecular Graphics and Modelling
Related Categories
N-demethylation
Kinetic isotope effect
theophylline
cytochrome P450 monooxygenase
Density functional theory
Analytical Chemistry
Chemistry (General)
Electrochemistry
Inorganic Chemistry
Organic Chemistry
Physical and Theoretical Chemistry
Spectroscopy
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