Kirchmair J - Search Results

1

NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules.

Chen Y, Stork C, Hirte S, Kirchmair J. Chen Y, et al. Among authors: kirchmair j. Biomolecules. 2019 Jan 24;9(2):43. doi: 10.3390/biom9020043. Biomolecules. 2019. PMID: 30682850 Free PMC article.

2

Epstein-Barr virus-driven B cell lymphoma mediated by a direct LMP1-TRAF6 complex.

Giehler F, Ostertag MS, Sommermann T, Weidl D, Sterz KR, Kutz H, Moosmann A, Feller SM, Geerlof A, Biesinger B, Popowicz GM, Kirchmair J, Kieser A. Giehler F, et al. Among authors: kirchmair j. Nat Commun. 2024 Jan 10;15(1):414. doi: 10.1038/s41467-023-44455-w. Nat Commun. 2024. PMID: 38195569 Free PMC article.

3

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.

4

Discovery of N-quinazolinone-4-hydroxy-2-quinolone-3-carboxamides as DNA gyrase B-targeted antibacterial agents.

Xue W, Wang Y, Lian X, Li X, Pang J, Kirchmair J, Wu K, Han Z, You X, Zhang H, Xia J, Wu S. Xue W, et al. Among authors: kirchmair j. J Enzyme Inhib Med Chem. 2022 Dec;37(1):1620-1631. doi: 10.1080/14756366.2022.2084088. J Enzyme Inhib Med Chem. 2022. PMID: 36278813 Free PMC article.

5

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity.

Šícho M, de Bruyn Kops C, Stork C, Svozil D, Kirchmair J. Šícho M, et al. Among authors: kirchmair j. J Chem Inf Model. 2017 Aug 28;57(8):1832-1846. doi: 10.1021/acs.jcim.7b00250. Epub 2017 Aug 7. J Chem Inf Model. 2017. PMID: 28782945 Free article.

6

Data Resources for the Computer-Guided Discovery of Bioactive Natural Products.

Chen Y, de Bruyn Kops C, Kirchmair J. Chen Y, et al. Among authors: kirchmair j. J Chem Inf Model. 2017 Sep 25;57(9):2099-2111. doi: 10.1021/acs.jcim.7b00341. Epub 2017 Aug 30. J Chem Inf Model. 2017. PMID: 28853576 Review.

7

Hit Dexter: A Machine-Learning Model for the Prediction of Frequent Hitters.

Stork C, Wagner J, Friedrich NO, de Bruyn Kops C, Šícho M, Kirchmair J. Stork C, et al. Among authors: kirchmair j. ChemMedChem. 2018 Mar 20;13(6):564-571. doi: 10.1002/cmdc.201700673. Epub 2018 Feb 1. ChemMedChem. 2018. PMID: 29285887

8

PAIN(S) relievers for medicinal chemists: how computational methods can assist in hit evaluation.

Stork C, Kirchmair J. Stork C, et al. Among authors: kirchmair j. Future Med Chem. 2018 Jul 1;10(13):1533-1535. doi: 10.4155/fmc-2018-0116. Epub 2018 Jun 29. Future Med Chem. 2018. PMID: 29956552 Free article. No abstract available.

9

Characterization of the Chemical Space of Known and Readily Obtainable Natural Products.

Chen Y, Garcia de Lomana M, Friedrich NO, Kirchmair J. Chen Y, et al. Among authors: kirchmair j. J Chem Inf Model. 2018 Aug 27;58(8):1518-1532. doi: 10.1021/acs.jcim.8b00302. Epub 2018 Aug 1. J Chem Inf Model. 2018. PMID: 30010333

10

Hit Dexter 2.0: Machine-Learning Models for the Prediction of Frequent Hitters.

Stork C, Chen Y, Šícho M, Kirchmair J. Stork C, et al. Among authors: kirchmair j. J Chem Inf Model. 2019 Mar 25;59(3):1030-1043. doi: 10.1021/acs.jcim.8b00677. Epub 2019 Jan 25. J Chem Inf Model. 2019. PMID: 30624935

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