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 | 164 | 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 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective T Magdziarz, K Mitusińska, M Bzowka, 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 | 27* | 2020 |
Exploring Solanum tuberosum Epoxide Hydrolase Internal Architecture by Water Molecules Tracking K Mitusińska, T Magdziarz, M Bzówka, A Stańczak, A Gora Biomolecules 8 (4), 143, 2018 | 19 | 2018 |
Computational insights into the known inhibitors of human soluble epoxide hydrolase M Bzówka, K Mitusinska, K Hopko, A Góra Drug Discovery Today 12, 14, 2021 | 18 | 2021 |
BALCONY: an R package for MSA and functional compartments of protein variability analysis A Płuciennik, M Stolarczyk, M Bzówka, A Raczyńska, T Magdziarz, A Góra BMC bioinformatics 19, 1-8, 2018 | 12 | 2018 |
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 |
Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease K Papaj, P Spychalska, P Kapica, A Fischer, J Nowak, M Bzówka, ... PLoS One 17 (1), e0262482, 2022 | 8 | 2022 |
Recent advances in studying toll-like receptors with the use of computational methods M Bzówka, W Bagrowska, A Góra Journal of Chemical Information and Modeling 63 (12), 3669-3687, 2023 | 7 | 2023 |
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 Mitusinska, M Bzówka, T Magdziarz, A Góra Journal of Chemical Information and Modeling 62 (24), 6803-6811, 2022 | 4 | 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 |
Structural and evolutionary analysis indicate that the SARS-CoV-2 Mpro is an inconvenient target for smallmolecule inhibitors design M Bzówka, K Mitusińska, A Raczyńska, A Samol, JA Tuszyński, A Góra bioRxiv, 0 | 2 | |
The proteolytic cleavage of TLR8 Z-loop by furin protease-molecular recognition, reaction mechanism and role of water molecules M Bzówka, K Szleper, A Stańczak, T Borowski, A Góra | | 2023 |
Readdressing the molecular basis of proteolytic cleavage of TLR8 Z-loop M Bzowka, W Bagrowska, A Gora FEBS OPEN BIO 12, 226-226, 2022 | | 2022 |
SARS-CoV-2 Mpro as a challenging molecular target for small-molecule inhibitor design M Bzowka, K Mitusinska, A Raczynska, A Samol, A Fischer, M Sellner, ... FEBS OPEN BIO 11, 349-350, 2021 | | 2021 |
Which way to the centre? Structural and evolutionary basis of substrate transport in epoxide hydrolases K Mitusinska, M Bzowka, A Raczynska, P Wojsa, P Kapica, T Skalski, ... FEBS OPEN BIO 11, 130-130, 2021 | | 2021 |