| Modeling glycosaminoglycan–protein complexes MM Kogut, M Marcisz, SA Samsonov Current Opinion in Structural Biology 73, 102332, 2022 | 25 | 2022 |
| 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 | 20 | 2023 |
| 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 | 18 | 2021 |
| Computational insights into the role of calcium ions in protein–glycosaminoglycan systems MM Kogut, M Maszota-Zieleniak, M Marcisz, SA Samsonov Physical Chemistry Chemical Physics 23 (5), 3519-3530, 2021 | 17 | 2021 |
| Modeling protein–glycosaminoglycan complexes: does the size matter? M Marcisz, M Zacharias, SA Samsonov Journal of Chemical Information and Modeling 61 (9), 4475-4485, 2021 | 16 | 2021 |
| Further analyses of APRIL/APRIL-receptor/glycosaminoglycan interactions by biochemical assays linked to computational studies M Marcisz, B Huard, AG Lipska, SA Samsonov Glycobiology 31 (7), 772-786, 2021 | 10 | 2021 |
| Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans M Maszota‐Zieleniak, M Marcisz, MM Kogut, T Siebenmorgen, ... Journal of Computational Chemistry 42 (15), 1040-1053, 2021 | 10 | 2021 |
| Solvent model benchmark for molecular dynamics of glycosaminoglycans M Marcisz, SA Samsonov Journal of Chemical Information and Modeling 63 (7), 2147-2157, 2023 | 7 | 2023 |
| 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 | 7 | 2022 |
| Advanced molecular dynamics approaches to model a tertiary complex APRIL/TACI with long glycosaminoglycans M Marcisz, M Maszota-Zieleniak, B Huard, SA Samsonov Biomolecules 11 (9), 1349, 2021 | 6 | 2021 |
| Fast and reliable screening assay developed to preselect candidate Soft Rot Pectobacteriaceae Tn5 mutants showing resistance to bacteriophage infection R Czajkowski, M Marcisz, P Bartnik European journal of plant pathology 155 (2), 671-676, 2019 | 6 | 2019 |
| Studying specificity in protein–glycosaminoglycan recognition with umbrella sampling M Marcisz, S Anila, M Gaardløs, M Zacharias, SA Samsonov Beilstein Journal of Organic Chemistry 19 (1), 1933-1946, 2023 | | 2023 |
| Repulsive Scaling Replica Exchange Molecular Dynamics in Modeling Protein-Glycosaminoglycan Complexes M Marcisz, M Maszota-Zieleniak, SA Samsonov Proteoglycans: Methods and Protocols, 153-167, 2023 | | 2023 |
| Water models for molecular dynamics of protein-glycosaminoglycan complexes: a benchmark study A Sebastian, M Marcisz, S Samsonov Laboratory of Molecular Modeling, 2023 | | 2023 |
| Repulsive scaling replica exchange molecular dynamicsfunction for GAG docking M Marcisz, M Maszota-Zieleniak, M Gaardløs, T Siebenmorgen, ... Department of Theoretical Chemistry, 2022 | | 2022 |
| Computational insights into the role of calcium ions in protein-glycosaminoglycan complexes M Kogut, M Maszota-Zieleniak, M Marcisz, S Samsonov Department of Theoretical Chemistry, 2021 | | 2021 |
| Repulsive scaling Hamiltonian replica exchange molecular dynamics (RS-REMD) in modeling long glycosaminoglycans in protein complexes M Maszota-Zieleniak, M Marcisz, M Zacharias, B Huard, S Samsonov Laboratory of Medical Chemistry, 2021 | | 2021 |
| 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 |
| Modeling structures of proteins with the coarse-grained UNRES force field in the CASP14 experiment A Antoniak, P Wesołowski, A Sieradzan, C Czaplewski, E Lubecka, ... Laboratory of Molecular Modeling, 2021 | | 2021 |
| Modeling oligomeric protein structures with the coarse-grained UNRES force field in the CASP14 experiment P Wesołowski, A Antoniak, I Biskupek, K Bojarski, C Czaplewski, ... Intercollegiate Faculty of Biotechnology UG, 2021 | | 2021 |
