Blind prediction of homo‐and hetero‐protein complexes: The CASP13‐CAPRI experiment MF Lensink, G Brysbaert, N Nadzirin, S Velankar, RAG Chaleil, T Gerguri, ... Proteins: Structure, Function, and Bioinformatics 87 (12), 1200-1221, 2019 | 85 | 2019 |
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 | 45 | 2021 |
Performance of protein-structure predictions with the physics-based UNRES force field in CASP11 P Krupa, MA Mozolewska, M Wiśniewska, Y Yin, Y He, AK Sieradzan, ... Bioinformatics 32 (21), 3270-3278, 2016 | 45 | 2016 |
UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics C Czaplewski, A Karczyńska, AK Sieradzan, A Liwo Nucleic Acids Research 46 (W1), W304-W309, 2018 | 43 | 2018 |
A maximum-likelihood approach to force-field calibration B Zaborowski, D Jagieła, C Czaplewski, A Hałabis, A Lewandowska, ... Journal of chemical information and modeling 55 (9), 2050-2070, 2015 | 31 | 2015 |
Assessment of chemical‐crosslink‐assisted protein structure modeling in CASP13 JE Fajardo, R Shrestha, N Gil, A Belsom, SN Crivelli, C Czaplewski, ... Proteins: Structure, Function, and Bioinformatics 87 (12), 1283-1297, 2019 | 26 | 2019 |
Prediction of protein structure with the coarse‐grained UNRES force field assisted by small X‐ray scattering data and knowledge‐based information AS Karczyńska, MA Mozolewska, P Krupa, A Giełdoń, A Liwo, ... Proteins: Structure, Function, and Bioinformatics 86, 228-239, 2018 | 24 | 2018 |
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 | 19 | 2018 |
Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment EA Lubecka, AS Karczyńska, AG Lipska, AK Sieradzan, K Ziȩba, ... Journal of Molecular Graphics and Modelling 92, 154-166, 2019 | 18 | 2019 |
UNRES-Dockproteinprotein and peptideprotein docking by coarse-grained replica-exchange MD simulations P Krupa, AS Karczyńska, MA Mozolewska, A Liwo, C Czaplewski Bioinformatics 37 (11), 1613-1615, 2021 | 14 | 2021 |
Disulfide-linked peptides for blocking BTLA/HVEM binding M Spodzieja, K Kuncewicz, A Sieradzan, A Karczyńska, J Iwaszkiewicz, ... International journal of molecular sciences 21 (2), 636, 2020 | 14 | 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 | 12 | 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 | 10 | 2020 |
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 | 9 | 2020 |
Ergodicity and model quality in template‐restrained canonical and temperature/Hamiltonian replica exchange coarse‐grained molecular dynamics simulations of proteins AS Karczyńska, C Czaplewski, P Krupa, MA Mozolewska, K Joo, J Lee, ... Journal of Computational Chemistry 38 (31), 2730-2746, 2017 | 9 | 2017 |
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 | 8 | 2022 |
A structural model of the immune checkpoint CD160HVEM complex derived from HDX-mass spectrometry and molecular modeling K Kuncewicz, M Spodzieja, A Sieradzan, A Karczyńska, K Dąbrowska, ... Oncotarget 10 (4), 536, 2019 | 8 | 2019 |
Fragments of gD protein as inhibitors of BTLA/HVEM complex formation-design, synthesis, and cellular studies K Kuncewicz, C Battin, A Sieradzan, A Karczyńska, M Orlikowska, ... International Journal of Molecular Sciences 21 (22), 8876, 2020 | 5 | 2020 |
Chauvot de Beauchêne I MF Lensink, G Brysbaert, N Nadzirin, S Velankar, RAG Chaleil, T Gerguri, ... Maigret, B, 1200-1221, 2019 | 5 | 2019 |
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 | 3 | 2021 |