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Use of density functional theory in drug metabolism studies
Patrik Rydberg,
Flemming Steen Jørgensen
, Lars Olsen
18
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Keyphrases
Density Functional Theory
100%
Metabolism Study
100%
Cytochrome P450 Enzymes
100%
Drug Metabolism
100%
Binding Energy
50%
QM-MM
25%
Heme Iron
25%
Enzyme Isoforms
25%
Iron Atom
25%
Major Determinants
25%
Oxidation Reaction
25%
Site of Metabolism
25%
Protein Environment
25%
Small Animal Model
25%
Drug Compounds
25%
Chemistry
Cytochrome P450
100%
Density Functional Theory
100%
Metabolite
75%
Metabolic
50%
Heme
25%
Free Energy of Binding
25%
Iron Atom
25%
Binding Energy
25%
Oxidation Reaction
25%
Biochemistry, Genetics and Molecular Biology
Cytochrome P450
100%
Drug Metabolism
100%
Enzyme
75%
Metabolite
75%
Binding Energy
25%
Metabolic Pathway
25%
Isoform
25%
Oxidation
25%
Pharmacology, Toxicology and Pharmaceutical Science
Cytochrome P450
100%
Drug Metabolism
100%
Isoenzyme
25%
Iron
25%
Heme
25%