Sellner MS - Search Results

1

Efficient virtual high-content screening using a distance-aware transformer model.

Sellner MS, Mahmoud AH, Lill MA. Sellner MS, et al. J Cheminform. 2023 Feb 8;15(1):18. doi: 10.1186/s13321-023-00686-z. J Cheminform. 2023. PMID: 36755346 Free PMC article.

2

Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds.

Fischer A, Sellner M, Neranjan S, Smieško M, Lill MA. Fischer A, et al. Int J Mol Sci. 2020 May 21;21(10):3626. doi: 10.3390/ijms21103626. Int J Mol Sci. 2020. PMID: 32455534 Free PMC article.

3

Decision Making in Structure-Based Drug Discovery: Visual Inspection of Docking Results.

Fischer A, Smieško M, Sellner M, Lill MA. Fischer A, et al. J Med Chem. 2021 Mar 11;64(5):2489-2500. doi: 10.1021/acs.jmedchem.0c02227. Epub 2021 Feb 22. J Med Chem. 2021. PMID: 33617246 Review.

4

Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2.

Fischer A, Sellner M, Mitusińska K, Bzówka M, Lill MA, Góra A, Smieško M. Fischer A, et al. Int J Mol Sci. 2021 Feb 19;22(4):2065. doi: 10.3390/ijms22042065. Int J Mol Sci. 2021. PMID: 33669738 Free PMC article.

5

Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease.

Papaj K, Spychalska P, Kapica P, Fischer A, Nowak J, Bzówka M, Sellner M, Lill MA, Smieško M, Góra A. Papaj K, et al. PLoS One. 2022 Jan 11;17(1):e0262482. doi: 10.1371/journal.pone.0262482. eCollection 2022. PLoS One. 2022. PMID: 35015795 Free PMC article.

6

Ligand pathways in estrogen-related receptors.

Fischer A, Bardakci F, Sellner M, Lill MA, Smieško M. Fischer A, et al. J Biomol Struct Dyn. 2023 Mar;41(5):1639-1648. doi: 10.1080/07391102.2022.2027818. Epub 2022 Jan 24. J Biomol Struct Dyn. 2023. PMID: 35068382

7

Activation of retinoic acid-related orphan receptor γ(t) by parabens and benzophenone UV-filters.

Inderbinen SG, Kley M, Zogg M, Sellner M, Fischer A, Kędzierski J, Boudon S, Jetten AM, Smieško M, Odermatt A. Inderbinen SG, et al. Toxicology. 2022 Apr 15;471:153159. doi: 10.1016/j.tox.2022.153159. Epub 2022 Mar 23. Toxicology. 2022. PMID: 35337918 Free PMC article.

8

Conformational Landscape of Cytochrome P450 Reductase Interactions.

Sellner M, Fischer A, Don CG, Smieško M. Sellner M, et al. Int J Mol Sci. 2021 Jan 20;22(3):1023. doi: 10.3390/ijms22031023. Int J Mol Sci. 2021. PMID: 33498551 Free PMC article.

9

Vitex agnus castus Extract Ze 440: Diterpene and Triterpene's Interactions with Dopamine D2 Receptor.

Reinhardt JK, Schertler L, Bussmann H, Sellner M, Smiesko M, Boonen G, Potterat O, Hamburger M, Butterweck V. Reinhardt JK, et al. Int J Mol Sci. 2024 Oct 25;25(21):11456. doi: 10.3390/ijms252111456. Int J Mol Sci. 2024. PMID: 39519010 Free PMC article.

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