Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliabilit...
Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation
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United States: Public Library of Science
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Language
English
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United States: Public Library of Science
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Contents
Prediction of human Cytochrome P450 (CYP) binding affinities of small ligands, i.e., substrates and inhibitors, represents an important task for predicting drug-drug interactions. A quantitative assessment of the ligand binding affinity towards different CYPs can provide an estimate of inhibitory activity or an indication of isoforms prone to inter...
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Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation
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TN_cdi_plos_journals_1985144675
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_plos_journals_1985144675
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ISSN
1932-6203
E-ISSN
1932-6203
DOI
10.1371/journal.pone.0142232
