_ _ _Karolina¯ ¯ _ _ _Mitusińska¯



Molecular dynamics

Important publications

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

Mitusińska K.; Góra A.; Bogdańska A.; Rożdżyńska-Świątkowska A.; Tylki-Szymańska ; Jezela-Stanek A.; Structural analysis of the effect of Asn107Ser mutation on Alg13 activity and Alg13-Alg14 complex formation and expanding the phenotypic variability of ALG13-CDG. Biomolecules 2022, 12(3), 398 doi: 10.3390/biom12030398 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.; Skalski, T.; Góra, A. Simple Selection Procedure to Distinguish between Static and Flexible Loops. Int J Mol Sci 202021, 2293, doi:10.3390/ijms21072293 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

Subramanian, K.; Mitusińska, K.; Raedts, J.; Almourfi, F.; Joosten, H.-J.; Hendriks, S.; Sedelnikova, S. E.; Kengen, S. W. M.; Hagen, W. R.; Góra, A.; Martins dos Santos, V. A. P.; Baker, P. J.; van der Oost, J.; Schaap, P. J. Distant Non-Obvious Mutations Influence the Activity of a Hyperthermophilic Pyrococcus furiosus Phosphoglucose Isomerase. Biomolecules 20199, 212, doi:10.3390/biom9060212. 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

Subramanian, K.; Góra, A.; Spruijt, R.; Mitusińska, K.; Suarez-Diez, M.; Martins dos Santos, V.; Schaap, P. J. Modulating D-amino acid oxidase (DAAO) substrate specificity through facilitated solvent access. PLoS One 201813, e0198990. ARTICLEOpen Access

Magdziarz, T.; Mitusińska, K.; Gołdowska, S.; Płuciennik, A.; Stolarczyk, M.; Lugowska, M.; Góra, A. AQUA-DUCT: A ligands tracking tool. Bioinformatics 201733, 2045–2046, doi:10.1093/bioinformatics/btx125. ARTICLE


Projects involved