Lill MA - Search Results

1

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. Among authors: lill ma. PLoS One. 2022 Jan 11;17(1):e0262482. doi: 10.1371/journal.pone.0262482. eCollection 2022. PLoS One. 2022. PMID: 35015795 Free PMC article.

2

Mixed-model QSAR at the glucocorticoid receptor: predicting the binding mode and affinity of psychotropic drugs.

Spreafico M, Ernst B, Lill MA, Smiesko M, Vedani A. Spreafico M, et al. Among authors: lill ma. ChemMedChem. 2009 Jan;4(1):100-9. doi: 10.1002/cmdc.200800274. ChemMedChem. 2009. PMID: 19009570

3

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. Among authors: lill ma. Int J Mol Sci. 2020 May 21;21(10):3626. doi: 10.3390/ijms21103626. Int J Mol Sci. 2020. PMID: 32455534 Free PMC article.

4

Conformational Changes of Thyroid Receptors in Response to Antagonists.

Fischer A, Frehner G, Lill MA, Smieško M. Fischer A, et al. Among authors: lill ma. J Chem Inf Model. 2021 Feb 22;61(2):1010-1019. doi: 10.1021/acs.jcim.0c01403. Epub 2021 Jan 15. J Chem Inf Model. 2021. PMID: 33449688 Free article.

5

Computational Assessment of Combination Therapy of Androgen Receptor-Targeting Compounds.

Fischer A, Häuptli F, Lill MA, Smieško M. Fischer A, et al. Among authors: lill ma. J Chem Inf Model. 2021 Feb 22;61(2):1001-1009. doi: 10.1021/acs.jcim.0c01194. Epub 2021 Feb 1. J Chem Inf Model. 2021. PMID: 33523669

6

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

Fischer A, Smieško M, Sellner M, Lill MA. Fischer A, et al. Among authors: lill ma. 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.

7

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. Among authors: lill ma. Int J Mol Sci. 2021 Feb 19;22(4):2065. doi: 10.3390/ijms22042065. Int J Mol Sci. 2021. PMID: 33669738 Free PMC article.

8

Investigation of Thiocarbamates as Potential Inhibitors of the SARS-CoV-2 Mpro.

Papaj K, Spychalska P, Hopko K, Kapica P, Fisher A, Lill MA, Bagrowska W, Nowak J, Szleper K, Smieško M, Kasprzycka A, Góra A. Papaj K, et al. Among authors: lill ma. Pharmaceuticals (Basel). 2021 Nov 12;14(11):1153. doi: 10.3390/ph14111153. Pharmaceuticals (Basel). 2021. PMID: 34832935 Free PMC article.

9

Ligand pathways in estrogen-related receptors.

Fischer A, Bardakci F, Sellner M, Lill MA, Smieško M. Fischer A, et al. Among authors: lill ma. 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

10

Accurate Sampling of Macromolecular Conformations Using Adaptive Deep Learning and Coarse-Grained Representation.

Mahmoud AH, Masters M, Lee SJ, Lill MA. Mahmoud AH, et al. Among authors: lill ma. J Chem Inf Model. 2022 Apr 11;62(7):1602-1617. doi: 10.1021/acs.jcim.1c01438. Epub 2022 Mar 30. J Chem Inf Model. 2022. PMID: 35352898

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