| Multi-GPU-powered UNRES package for physics-based coarse-grained simulations of structure, dynamics, and thermodynamics of protein systems at biological size-and timescales CR Czaplewski, P Czarnul, H Krawczyk, AG Lipska, EA Lubecka, ... Biophysical Journal 123 (3), 422a, 2024 | | 2024 |
| 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 | 21 | 2023 |
| Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins AK Sieradzan, J Sans‐Duñó, EA Lubecka, C Czaplewski, AG Lipska, ... Journal of computational chemistry 44 (4), 602-625, 2023 | 12 | 2023 |
| Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions R Ślusarz, EA Lubecka, C Czaplewski, A Liwo Frontiers in Molecular Biosciences 9, 1071428, 2022 | 2 | 2022 |
| A coarse‐grained approach to NMR‐data‐assisted modeling of protein structures EA Lubecka, A Liwo Journal of Computational Chemistry 43 (31), 2047-2059, 2022 | 3 | 2022 |
| Early Stages of RNA-Mediated Conversion of Human Prions EA Lubecka, UHE Hansmann The Journal of Physical Chemistry B 126 (33), 6221-6230, 2022 | | 2022 |
| Modeling the structure, dynamics, and transformations of proteins with the UNRES force field AK Sieradzan, C Czaplewski, P Krupa, MA Mozolewska, AS Karczyńska, ... Protein folding: Methods and protocols, 399-416, 2022 | 14 | 2022 |
| Physics-based coarse-grained modeling in bio-and nanochemistry A Liwo, AK Sieradzan, AS Karczyńska, EA Lubecka, SA Samsonov, ... Practical Aspects of Computational Chemistry V, 31-69, 2022 | | 2022 |
| Recent developments in data-assisted modeling of flexible proteins C Czaplewski, Z Gong, EA Lubecka, K Xue, C Tang, A Liwo Frontiers in Molecular Biosciences 8, 765562, 2021 | 7 | 2021 |
| Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment MF Lensink, G Brysbaert, T Mauri, N Nadzirin, S Velankar, RAG Chaleil, ... Proteins: Structure, Function, and Bioinformatics 89 (12), 1800-1823, 2021 | 85 | 2021 |
| 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 |
| ESCASA: Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance‐assisted protein structure modeling. I. Backbone and Hβ protons EA Lubecka, A Liwo Journal of Computational Chemistry 42 (22), 1579-1589, 2021 | 4 | 2021 |
| Extension of the Unres package for physics-based coarse-grained simulations of proteins and protein complexes to very large systems AK Sieradzan, CR Czaplewski, EA Lubecka, AG Lipska, AS Karczynska, ... Biophysical Journal 120 (3), 83a-84a, 2021 | 5 | 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 |
| Improved consensus-fragment selection in template-assisted prediction of protein structures with the UNRES force field in CASP13 AS Karczyńska, K Ziȩba, U Uciechowska, MA Mozolewska, P Krupa, ... Journal of Chemical Information and Modeling 60 (3), 1844-1864, 2020 | 12 | 2020 |
| Protein structure prediction in CASP14 with the coarse-grained UNRES model A Antoniak, I Biskupek, K Bojarski, C Czaplewski, A Giełdoń, M Kogut, ... Laboratory of Molecular Modeling, 2020 | | 2020 |
| Template-assisted prediction of protein structures with the coarse-grained UNRES force field and replica-exchange molecular dynamics P Wesołowski, A Antoniak, M Kogut, M Maszota-Zieleniak, K Bojarski, ... Intercollegiate Faculty of Biotechnology UG, 2020 | | 2020 |
| Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers A Liwo, C Czaplewski, AK Sieradzan, EA Lubecka, AG Lipska, Ł Golon, ... Progress in Molecular Biology and Translational Science 170, 73-122, 2020 | 21 | 2020 |
| Vomocytosis: too much booze, base, or calcium? M Cruz-Acuña, N Pacifici, JS Lewis MBio 10 (6), 10.1128/mbio. 02526-19, 2019 | 10 | 2019 |
