Structural and evolutionary analysis indicate that the SARS-CoV-2 Mpro is a challenging target for small-molecule inhibitor design M Bzówka, K Mitusińska, A Raczyńska, A Samol, JA Tuszyński, A Góra International journal of molecular sciences 21 (9), 3099, 2020 | 166 | 2020 |
Applications of water molecules for analysis of macromolecule properties K Mitusińska, A Raczyńska, M Bzówka, W Bagrowska, A Góra Computational and Structural Biotechnology Journal 18, 355-365, 2020 | 34 | 2020 |
AQUA-DUCT: a ligands tracking tool T Magdziarz, K Mitusińska, S Gołdowska, A Płuciennik, M Stolarczyk, ... Bioinformatics 33 (13), 2045-2046, 2017 | 34 | 2017 |
AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective T Magdziarz, K Mitusińska, M Bzówka, A Raczyńska, A Stańczak, ... Bioinformatics 36 (8), 2599-2601, 2020 | 33 | 2020 |
Molecular dynamics simulations indicate the SARS-CoV-2 Mpro is not a viable target for small-molecule inhibitors design M Bzówka, K Mitusinska, A Raczynska, A Samol, J Tuszynski, A Gora BioRxiv, 2020 | 26* | 2020 |
Modulating D-amino acid oxidase (DAAO) substrate specificity through facilitated solvent access K Subramanian, A Góra, R Spruijt, K Mitusińska, M Suarez-Diez, ... PloS one 13 (6), e0198990, 2018 | 22 | 2018 |
Exploring Solanum tuberosum Epoxide Hydrolase Internal Architecture by Water Molecules Tracking K Mitusińska, T Magdziarz, M Bzówka, A Stańczak, A Góra Biomolecules 8 (4), 143, 2018 | 19 | 2018 |
Computational insights into the known inhibitors of human soluble epoxide hydrolase M Bzówka, K Mitusińska, K Hopko, A Góra Drug Discovery Today, 2021 | 18 | 2021 |
Distant Non-Obvious Mutations Influence the Activity of a Hyperthermophilic Pyrococcus furiosus Phosphoglucose Isomerase K Subramanian, K Mitusińska, J Raedts, F Almourfi, HJ Joosten, ... Biomolecules 9 (6), 212, 2019 | 13 | 2019 |
Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2 A Fischer, M Sellner, K Mitusińska, M Bzówka, MA Lill, A Góra, M Smieško International Journal of Molecular Sciences 22 (4), 2065, 2021 | 10 | 2021 |
Structure-function relationship between soluble epoxide hydrolases structure and their tunnel network K Mitusińska, P Wojsa, M Bzówka, A Raczyńska, W Bagrowska, A Samol, ... Computational and structural biotechnology journal 20, 193-205, 2022 | 7 | 2022 |
Evolution of tunnels in α/β-hydrolase fold proteins—What can we learn from studying epoxide hydrolases? M Bzówka, K Mitusińska, A Raczyńska, T Skalski, A Samol, W Bagrowska, ... PLOS Computational Biology 18 (5), e1010119, 2022 | 6 | 2022 |
Geometry-Based versus Small-Molecule Tracking Method for Tunnel Identification: Benefits and Pitfalls K Mitusińska, M Bzówka, T Magdziarz, A Góra Journal of Chemical Information and Modeling 62 (24), 6803-6811, 2022 | 4 | 2022 |
Water Migration through Enzyme Tunnels Is Sensitive to the Choice of Explicit Water Model AS Thirunavukarasu, K Szleper, G Tanriver, I Marchlewski, K Mitusinska, ... Journal of Chemical Information and Modeling, 2024 | 3 | 2024 |
Structural Analysis of the Effect of Asn107Ser Mutation on Alg13 Activity and Alg13-Alg14 Complex Formation and Expanding the Phenotypic Variability of ALG13-CDG K Mitusińska, A Góra, A Bogdańska, A Rożdżyńska-Świątkowska, ... Biomolecules 12 (3), 398, 2022 | 3 | 2022 |
Structural and evolutionary analysis indicate that the SARS-CoV-2 Mpro is an inconvenient target for small-molecule inhibitors design M Bzówka, K Mitusińska, A Raczyńska, A Samol, JA Tuszyński, A Góra bioRxiv, 2020.02. 27.968008, 2020 | 2 | 2020 |
AQUA-DUCT: Analysis of Molecular Dynamics Simulations of Macromolecules with the Use of Molecular Probes [Article v1. 0] K Mitusińska, A Raczyńska, P Wojsa, M Bzówka, A Góra Living Journal of Computational Molecular Science 2 (1), 21383-21383, 2020 | 2 | 2020 |
Simple Selection Procedure to Distinguish between Static and Flexible Loops K Mitusińska, T Skalski, A Góra International Journal of Molecular Sciences 21 (7), 2293, 2020 | 2 | 2020 |
Computational Tools to Assist in Analyzing Effects of the SERPINA1 Gene Variation on Alpha-1 Antitrypsin (AAT) J Mróz, M Pelc, K Mitusińska, J Chorostowska-Wynimko, A Jezela-Stanek Genes 15 (3), 340, 2024 | 1 | 2024 |
Application of AlphaFold on metamorphic proteins K Mitusińska, W Bagrowska, A Góra | 1 | 2023 |