_ _ _ _ _Agata¯ ¯ _ _Raczyńska¯



Molecular dynamics

Important publications

Raczyńska A.; Kapica P.; Papaj K.; Stańczak A.; Shyntum D.; Spychalska P.; Byczek-Wyrostek A.; Góra A.; Transient binding sites at the surface of haloalkane dehalogenase LinB as locations for fine-tuning enzymatic activity. PLoS ONE 2023 18(2), e0280776. doi: 10.1371/journal.pone.0280776 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

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

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

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

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