Molecular dynamics insights into protein‐glycosaminoglycan systems from microsecond‐scale simulations KK Bojarski, AK Sieradzan, SA Samsonov Biopolymers 110 (7), e23252, 2019 | 37 | 2019 |
Molecular dynamics-based model of VEGF-A and its heparin interactions U Uciechowska-Kaczmarzyk, S Babik, F Zsila, KK Bojarski, T Beke-Somfai, ... Journal of Molecular Graphics and Modelling 82, 157-166, 2018 | 32 | 2018 |
Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment MF Lensink, G Brysbaert, N Raouraoua, PA Bates, M Giulini, RV Honorato, ... Proteins: Structure, Function, and Bioinformatics 91 (12), 1658-1683, 2023 | 26 | 2023 |
Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets A Karczyńska, MA Mozolewska, P Krupa, A Giełdoń, KK Bojarski, ... Journal of Molecular Graphics and Modelling 83, 92-99, 2018 | 21 | 2018 |
Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment A Antoniak, I Biskupek, KK Bojarski, C Czaplewski, A Giełdoń, M Kogut, ... Journal of Molecular Graphics and Modelling 108, 108008, 2021 | 20 | 2021 |
The abnormal accumulation of heparan sulfate in patients with mucopolysaccharidosis prevents the elastolytic activity of cathepsin V T Chazeirat, S Denamur, KK Bojarski, PM Andrault, D Sizaret, F Zhang, ... Carbohydrate Polymers 253, 117261, 2021 | 18 | 2021 |
Analysis of procollagen C-proteinase enhancer-1/glycosaminoglycan binding sites and of the potential role of calcium ions in the interaction J Potthoff, KK Bojarski, G Kohut, AG Lipska, A Liwo, E Kessler, ... International Journal of Molecular Sciences 20 (20), 5021, 2019 | 15 | 2019 |
Role of Oligosaccharide Chain Polarity in Protein–Glycosaminoglycan Interactions KK Bojarski, SA Samsonov Journal of Chemical Information and Modeling 61 (1), 455-466, 2020 | 14 | 2020 |
Rat cathepsin K: Enzymatic specificity and regulation of its collagenolytic activity F Lecaille, T Chazeirat, KK Bojarski, J Renault, A Saidi, VGNV Prasad, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1868 (2), 140318, 2020 | 13 | 2020 |
Role of glycosaminoglycans in procathepsin b maturation: Molecular mechanism elucidated by a computational study KK Bojarski, AS Karczyńska, SA Samsonov Journal of Chemical Information and Modeling 60 (4), 2247-2256, 2020 | 12 | 2020 |
Synthesis and in silico characterization of artificially phosphorylated glycosaminoglycans KK Bojarski, J Becher, T Riemer, K Lemmnitzer, S Möller, J Schiller, ... Journal of Molecular Structure 1197, 401-416, 2019 | 12 | 2019 |
In silico and in vitro mapping of specificity patterns of glycosaminoglycans towards cysteine cathepsins B, L, K, S and V KK Bojarski, J Sage, G Lalmanach, F Lecaille, SA Samsonov Journal of Molecular Graphics and Modelling 113, 108153, 2022 | 10 | 2022 |
Local and long range potentials for heparin‐protein systems for coarse‐grained simulations SA Samsonov, EA Lubecka, KK Bojarski, R Ganzynkowicz, A Liwo Biopolymers 110 (8), e23269, 2019 | 10 | 2019 |
Explicit solvent repulsive scaling replica exchange molecular dynamics (RS‐REMD) in molecular modeling of protein‐glycosaminoglycan complexes M Marcisz, M Gaardløs, KK Bojarski, T Siebenmorgen, M Zacharias, ... Journal of Computational Chemistry 43 (24), 1633-1640, 2022 | 9 | 2022 |
Modulation of the expression and activity of cathepsin S in reconstructed human skin by neohesperidin dihydrochalcone J Sage, J Renault, R Domain, KK Bojarski, T Chazeirat, A Saidi, ... Matrix Biology 107, 97-112, 2022 | 5 | 2022 |
In silico insights into procathepsin S maturation mediated by glycosaminoglycans KK Bojarski, SA Samsonov Journal of Molecular Graphics and Modelling 120, 108406, 2023 | 1 | 2023 |
Enhancing colloidal stability of nanodiamond via surface modification with dendritic molecules for optical sensing in physiological environments MJ Głowacki, P Niedziałkowski, J Ryl, M Prześniak-Welenc, M Sawczak, ... Journal of Colloid and Interface Science 675, 236-250, 2024 | | 2024 |
In silico approaches for better understanding cysteine cathepsin-glycosaminoglycan interactions KK Bojarski, A David, F Lecaille, SA Samsonov Carbohydrate Research, 109201, 2024 | | 2024 |
Dynamic dance of sugars and proteins: unveiling the secrets of protein-carbohydrate complex structures with molecular dynamics S Samsonov, K Bojarski, M Gaardløs, M Maszota-Zieleniak Laboratory of Molecular Modeling, 2023 | | 2023 |
Recent advances in computational approaches to model biologically relevant interactions of glycosaminoglycans S Samsonov, M Maszota-Zieleniak, K Bojarski, M Marcisz, M Kogut, ... Laboratory of Molecular Modeling, 2021 | | 2021 |