| Potential inhibitors for novel coronavirus protease identified by virtual screening of 606 million compounds A Fischer, M Sellner, S Neranjan, M Smieško, MA Lill International journal of molecular sciences 21 (10), 3626, 2020 | 208 | 2020 |
| Decision making in structure-based drug discovery: visual inspection of docking results A Fischer, M Smiesko, M Sellner, MA Lill Journal of Medicinal Chemistry 64 (5), 2489-2500, 2021 | 199 | 2021 |
| Conformational landscape of cytochrome P450 reductase interactions M Sellner, A Fischer, CG Don, M Smieško International journal of molecular sciences 22 (3), 1023, 2021 | 15 | 2021 |
| Activation of retinoic acid-related orphan receptor γ (t) by parabens and benzophenone UV-filters SG Inderbinen, M Kley, M Zogg, M Sellner, A Fischer, J Kędzierski, ... Toxicology 471, 153159, 2022 | 12 | 2022 |
| Computational selectivity assessment of protease inhibitors against SARS-CoV-2 A Fischer, M Sellner, K Mitusińska, M Bzówka, MA Lill, A Góra, M Smieško International Journal of Molecular Sciences 22 (4), 2065, 2021 | 10 | 2021 |
| Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease K Papaj, P Spychalska, P Kapica, A Fischer, J Nowak, M Bzówka, ... PLoS One 17 (1), e0262482, 2022 | 8 | 2022 |
| Efficient virtual high-content screening using a distance-aware transformer model MS Sellner, AH Mahmoud, MA Lill Journal of Cheminformatics 15 (1), 18, 2023 | 5 | 2023 |
| Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 687 Million Compounds (2020) A Fischer, M Sellner, S Neranjan, MA Lill, M Smieško DOI: https://doi. org/10.26434/chemrxiv 11923239, v1, 0 | 5 | |
| Ligand pathways in estrogen-related receptors A Fischer, F Bardakci, M Sellner, MA Lill, M Smieško Journal of biomolecular structure and dynamics 41 (5), 1639-1648, 2023 | 4 | 2023 |
| Quality Matters: Deep Learning-Based Analysis of Protein-Ligand Interactions with Focus on Avoiding Bias MS Sellner, MA Lill, M Smieško bioRxiv, 2023.11. 13.566916, 2023 | 1 | 2023 |
| Enhancing Ligand-Based Virtual Screening with 3D Shape Similarity via a Distance-Aware Transformer Model MS Sellner, AH Mahmoud, MA Lill bioRxiv, 2023.11. 17.567506, 2023 | 1 | 2023 |
| Vitex agnus castus Extract Ze 440: Diterpene and Triterpene’s Interactions with Dopamine D2 Receptor JK Reinhardt, L Schertler, H Bussmann, M Sellner, M Smiesko, G Boonen, ... International Journal of Molecular Sciences 25 (21), 11456, 2024 | | 2024 |
| PanScreen: A Comprehensive Approach to Off-Target Liability Assessment MS Sellner, MA Lill, M Smieško bioRxiv, 2023.11. 16.567496, 2023 | | 2023 |
| Development of an In silico platform for the prediction of off-target binding M Sellner University_of_Basel, 2023 | | 2023 |
| P10-02 Parabens and UV-filters activating retinoic acid-related orphan receptor γ (t) M Kley, SG Inderbinen, M Zogg, M Sellner, A Fischer, J Kędzierski, ... Toxicology Letters 368, S155, 2022 | | 2022 |
| SARS-CoV-2 Mpro as a challenging molecular target for small-molecule inhibitor design M Bzowka, K Mitusinska, A Raczynska, A Samol, A Fischer, M Sellner, ... FEBS OPEN BIO 11, 349-350, 2021 | | 2021 |
| High-Content Similarity-Based Virtual Screening Using a Distance Aware Transformer Model MS Sellner, AH Mahmoud, MA Lill ICLR2022 Machine Learning for Drug Discovery, 0 | | |
| Supporting Information: Computational Selectivity Assessment of Protease Inhbitiors against SARS-CoV-2 A Fischer, M Sellner, K Mitusinska, M Bzówka, MA Lill, A Góra, M Smieško | | |
