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Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism: A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants
Rasmus Leth, Bogac Ercig, Lars Olsen,
Flemming Steen Jørgensen
6
Citations (Scopus)
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Dive into the research topics of 'Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism: A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants'. Together they form a unique fingerprint.
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Engineering & Materials Science
Cytochrome P-450 Enzyme System
96%
Metabolism
66%
Molecular dynamics
58%
Discrete Fourier transforms
56%
Acids
47%
Hydroxylation
31%
Oxygenases
18%
Porphyrins
15%
Density functional theory
12%
Bacilli
12%
Metabolites
11%
Fatty acids
10%
Substrates
6%
Computer simulation
4%
Chemical Compounds
Fenamic Acid
100%
Cytochrome P450
55%
Pharmacological Metabolism
40%
Density Functional Theory
32%
Nonsteroid Antiinflammatory Agent
20%
Meclofenamic Acid
14%
Tolfenamic Acid
14%
Aromatic Hydroxylation
13%
Mefenamic Acid
12%
Diclofenac
10%
Drug
9%
Mutation
7%
Porphyrin
7%
Fatty Acid
7%
Molecular Dynamics
6%
Metabolite
6%
Simulation
5%
Social Sciences
drug
35%
turnover
13%
simulation
10%