_ _ _ _ _Maria¯ ¯ _ _Bzówka¯


Virtual Screening, Molecular Dynamics, Bioinformatics

Important publications

Bzówka M’; Bagrowska W.; Góra A.; Recent Advances in Studying Toll-like Receptors with the Use of Computational Methods. J. Chem. Inf. Model., 2023, 63, 12, 3669–3687 doi: 10.1021/acs.jcim.3c00419  ARTICLEOpen Access

Bzówka M.; Mitusińska K.; Raczyńska A.; Skalski T.; Samol A.; Bagrowska W.; Magdziarz T.; Góra A.; Evolution of tunnels in α/β-hydrolase fold proteins—What can we learn from studying epoxide hydrolases? PLOS Computational Biology 2022, 18 (5), e1010119 doi: 10.1371/journal.pcbi.1010119  ARTICLEOpen Access

Mitusińska K.; Bzówka M.; Magdziarz T.; Góra A.; Geometry-Based versus Small-Molecule Tracking Method for Tunnel Identification: Benefits and Pitfalls. J. Chem. Inf. Model. 2022, 62, 24, 6803–6811. doi: 10.1021/acs.jcim.2c00985 ARTICLEOpen Access

Papaj K.; Spychalska P.; Kapica P.; Fisher A.; Nowak J.; Bzówka M.; Sellner M.; Lill M.A.; Smieško ; Góra A.; Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease. PloS ONE 2022, 17 (1), e0262482 doi: 10.1371/journal.pone.0262482 ARTICLEOpen Access

Mitusińka K.; Wojsa P.; Bzówka M.; Raczyńska A.; Bagrowska W.; Samol A.; Kapica P.; Góra A.; Structure-function relationship between soluble epoxide hydrolases structure and their tunnel network. Computational and Structural Biotechnology Journal 2022, 20, 193-205 doi: 10.1016/j.csbj.2021.10.042 ARTICLEOpen Access

Bzówka M.; Mitusińska K.; Hopko K.; Góra A.; Computational insights into the known inhibitors of human soluble epoxide hydrolase. Drug Discovery Today 2021, 26(8):1914-1921 doi: 1016/j.drudis.2021.05. ARTICLEOpen Access

Mitusińska K.; Raczyńska A.; Wojsa P.; Bzówka M.; Góra A.; AQUA-DUCT: Analysis of Molecular Dynamics Simulations of Macromolecules with the use of Molecular Probes [Article v1. 0]. Living Journal of Computational Molecular Science 2021, 2 (1), 21383 doi: 10.33011/livecoms.2.1.21383 ARTICLEOpen Access

Fischer A.; Sellner M.; Mitusińska K.; Bzówka M.; Lill M. A.; Góra A.; Smieško M.; Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2 Int. J. Mol. Sci. 2021, 22(4), 2065 doi: 10.3390/ ijms22042065 ARTICLEOpen Access

Bzówka M., Mitusińska K., Raczyńska A., Samol A., Tuszyński J.A., Góra A. Structural and Evolutionary Analysis Indicate that the SARS-CoV-2 Mpro is a Challenging Target for Small-Molecule Inhibitors Design , Int. J. Mol. Sci. 2020, 21(7), 3099 doi: 10.3390/ijms21093099. ARTICLEOpen Access

Mitusińska, K.; Raczyńska, A.; Bzówka, M.; Bagrowska, W.; Góra, A. Applications of water molecules for analysis of macromolecule properties. Comput Struct Biotechnol J 202018, 355–365, doi:10.1016/j.csbj.2020.02.001. ARTICLEOpen Access

Magdziarz, T.; Mitusińska, K.; Bzówka, M.; Raczyńska, A.; Stańczak, A.; Banas, M.; Bagrowska, W.; Góra, A. AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective. Bioinformatics 2019, doi:10.1093/bioinformatics/btz946, ARTICLEOpen Access

Mitusińska, K.; Magdziarz, T.; Bzówka, M.; Stańczak, A.; Gora, A.; Mitusińska, K.; Magdziarz, T.; Bzówka, M.; Stańczak, A.; Gora, A. Exploring Solanum tuberosum Epoxide Hydrolase Internal Architecture by Water Molecules Tracking. Biomolecules 20188, 143, doi:10.3390/biom8040143. ARTICLEOpen Access

Płuciennik, A.; Stolarczyk, M.; Bzówka, M.; Raczyńska, A.; Magdziarz, T.; Góra, A. BALCONY: an R package for MSA and functional compartments of protein variability analysis. BMC Bioinformatics 201819, 300, doi:10.1186/s12859-018-2294-z. ARTICLEOpen Access



Projects involved