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Predicting drug metabolism: experiment and/or computation?
Kirchmair J, Göller AH, Lang D, Kunze J, Testa B, Wilson ID, Glen RC, Schneider G. Kirchmair J, et al. Nat Rev Drug Discov. 2015 Jun;14(6):387-404. doi: 10.1038/nrd4581. Epub 2015 Apr 24. Nat Rev Drug Discov. 2015. PMID: 25907346 Free article. Review.
Flindissone, a Limonoid Isolated from Trichilia prieuriana, Is an LXR Agonist.
Resetar M, Tietcheu Galani BR, Tsamo AT, Chen Y, Schachner D, Stolzlechner S, Mawouma Pagna JI, Beniddir MA, Kirchmair J, Dirsch VM. Resetar M, et al. Among authors: kirchmair j. J Nat Prod. 2023 Aug 25;86(8):1901-1909. doi: 10.1021/acs.jnatprod.3c00059. Epub 2023 Aug 1. J Nat Prod. 2023. PMID: 37526502 Free PMC article.
Identification of Natural Products Inhibiting SARS-CoV-2 by Targeting Viral Proteases: A Combined in Silico and in Vitro Approach.
Wasilewicz A, Kirchweger B, Bojkova D, Abi Saad MJ, Langeder J, Bütikofer M, Adelsberger S, Grienke U, Cinatl J Jr, Petermann O, Scapozza L, Orts J, Kirchmair J, Rabenau HF, Rollinger JM. Wasilewicz A, et al. Among authors: kirchmair j. J Nat Prod. 2023 Feb 24;86(2):264-275. doi: 10.1021/acs.jnatprod.2c00843. Epub 2023 Jan 18. J Nat Prod. 2023. PMID: 36651644 Free PMC article.
The challenges involved in modeling toxicity data in silico: a review.
Gleeson MP, Modi S, Bender A, Robinson RL, Kirchmair J, Promkatkaew M, Hannongbua S, Glen RC. Gleeson MP, et al. Among authors: kirchmair j. Curr Pharm Des. 2012;18(9):1266-91. doi: 10.2174/138161212799436359. Curr Pharm Des. 2012. PMID: 22316153 Review.
122 results