_ _Weronika¯ ¯ _ _Bagrowska¯

Field

Molecular dynamics

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  ARTICLE^{Open 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  ARTICLE^{Open 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 ARTICLE^{Open Access}

Papaj K.; Spychalska P.; Hopko K.; Kapica P.; Fisher A.; Lill M.A.; Bagrowska W.; Nowak J.; Szleper K.; Smieško M.; Kasprzycka A.; Góra A.; Investigation of Thiocarbamates as Potential Inhibitors of the SARS-CoV-2 Mpro. Pharmaceuticals 2021, 14(11), 1153 doi: 10.3390/ph14111153 ARTICLE^{Open Access}

Mitusińska, K.; Raczyńska, A.; Bzówka, M.; Bagrowska, W.; Góra, A. Applications of water molecules for analysis of macromolecule properties. Comput Struct Biotechnol J 2020, 18, 355–365, doi:10.1016/j.csbj.2020.02.001. ARTICLE^{Open 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, ARTICLE^{Open Access}

Projects involved

Contact

w.bagrowska(at)tunnelinggroup.pl