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Article

Sellner, Manuel and Fischer, Andre and Don, Charleen G. and Smieško, Martin. (2021) Conformational Landscape of Cytochrome P450 Reductase Interactions. International journal of molecular sciences, 22 (3). p. 1023.

Papaj, Katarzyna and Spychalska, Patrycja and Hopko, Katarzyna and Kapica, Patryk and Fisher, Andre and Lill, Markus A. and Bagrowska, Weronika and Nowak, Jakub and Szleper, Katarzyna and Smieško, Martin and Kasprzycka, Anna and Góra, Artur. (2021) Investigation of Thiocarbamates as Potential Inhibitors of the SARS-CoV-2 Mpro. Pharmaceuticals (Basel, Switzerland), 14 (11). p. 1153.

Fischer, André and Smieško, Martin. (2021) A Conserved Allosteric Site on Drug-Metabolizing CYPs: A Systematic Computational Assessment. International Journal of Molecular Sciences, 22 (24). p. 13215.

Fischer, André and Smieško, Martin. (2020) Allosteric Binding Sites On Nuclear Receptors: Focus On Drug Efficacy and Selectivity. International journal of molecular sciences, 21 (2). p. 534.

Fischer, André and Sellner, Manuel and Neranjan, Santhosh and Smiesko, Martin and Lill, Markus A.. (2020) Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds. International journal of molecular sciences, 21 (10). p. 3626.

Fischer, André and Smieško, Martin. (2019) Spontaneous Ligand Access Events to Membrane-Bound Cytochrome P450 2D6 Sampled at Atomic Resolution. Scientific reports, 9 (1). p. 16411.

Fischer, André and Smieško, Martin. (2019) Ligand Pathways in Nuclear Receptors. Journal of chemical information and modeling, 59 (7). pp. 3100-3109.

Fischer, André and Don, Charleen G. and Smieško, Martin. (2018) Molecular Dynamics Simulations Reveal Structural Differences among Allelic Variants of Membrane-Anchored Cytochrome P450 2D6. Journal of chemical information and modeling, 58 (9). pp. 1962-1975.