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The impact of carbon–hydrogen bond dissociation energies on the prediction of the cytochrome P450 mediated major metabolic site of drug-like compounds

Drew, Kurt and Reynisson, Jóhannes 2012, The impact of carbon–hydrogen bond dissociation energies on the prediction of the cytochrome P450 mediated major metabolic site of drug-like compounds, European journal of medicinal chemistry, vol. 56, pp. 48-55, doi: 10.1016/j.ejmech.2012.08.017.

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Title The impact of carbon–hydrogen bond dissociation energies on the prediction of the cytochrome P450 mediated major metabolic site of drug-like compounds
Author(s) Drew, Kurt
Reynisson, Jóhannes
Journal name European journal of medicinal chemistry
Volume number 56
Article ID C
Start page 48
End page 55
Total pages 8
Publisher Elsevier Masson
Place of publication Amsterdam, The Netherlands
Publication date 2012-10
ISSN 0223-5234
Keyword(s) Drug metabolism
Cytochrome P450
Density functional theory (DFT)
Bond dissociation energy (BDE)
Drug development/discovery
Language eng
DOI 10.1016/j.ejmech.2012.08.017
Field of Research 099999 Engineering not elsewhere classified
0304 Medicinal And Biomolecular Chemistry
1115 Pharmacology And Pharmaceutical Sciences
0305 Organic Chemistry
Socio Economic Objective 970110 Expanding Knowledge in Technology
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2012 Elsevier Masson SAS
Persistent URL http://hdl.handle.net/10536/DRO/DU:30086858

Document type: Journal Article
Collections: Institute for Frontier Materials
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