Browsing Department of Chemistry by Author "Jeliazkova, Nina"

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GLORY: Generator of the structures of likely cytochrome P450 metabolites based on predicted sites of metabolism

de Bruyn Kops, Christina; Stork, Conrad; Sicho, Martin; Kochev, Nikolay; Svozil, Daniel; Jeliazkova, Nina; Kirchmair, Johannes (Peer reviewed; Journal article, 2019-06-12)

Computational prediction of xenobiotic metabolism can provide valuable information to guide the development of drugs, cosmetics, agrochemicals, and other chemical entities. We have previously developed FAME 2, an effective ...