| A unified coarse-grained model of biological macromolecules based on mean-field multipolemultipole interactions A Liwo, M Baranowski, C Czaplewski, E Gołaś, Y He, D Jagieła, P Krupa, ... Journal of molecular modeling 20, 1-15, 2014 | 118 | 2014 |
| 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 | 84 | 2019 |
| WeFold: a coopetition for protein structure prediction GA Khoury, A Liwo, F Khatib, H Zhou, G Chopra, J Bacardit, LO Bortot, ... Proteins: Structure, Function, and Bioinformatics 82 (9), 1850-1868, 2014 | 69 | 2014 |
| Lessons from application of the UNRES force field to predictions of structures of CASP10 targets Y He, MA Mozolewska, P Krupa, AK Sieradzan, TK Wirecki, A Liwo, ... Proceedings of the National Academy of Sciences 110 (37), 14936-14941, 2013 | 62 | 2013 |
| Physics-based potentials for the coupling between backbone-and side-chain-local conformational states in the united residue (UNRES) force field for protein simulations AK Sieradzan, P Krupa, HA Scheraga, A Liwo, C Czaplewski Journal of chemical theory and computation 11 (2), 817-831, 2015 | 49 | 2015 |
| 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 |
| Maximum likelihood calibration of the UNRES force field for simulation of protein structure and dynamics P Krupa, A Hałabis, W Zmudzinska, S Ołdziej, HA Scheraga, A Liwo Journal of chemical information and modeling 57 (9), 2364-2377, 2017 | 38 | 2017 |
| Improvement of the treatment of loop structures in the UNRES force field by inclusion of coupling between backbone-and side-chain-local conformational states P Krupa, AK Sieradzan, S Rackovsky, M Baranowski, S Ołdziej, ... Journal of chemical theory and computation 9 (10), 4620-4632, 2013 | 37 | 2013 |
| Molecular modeling of the binding modes of the iron‐sulfur protein to the Jac1 co‐chaperone from Saccharomyces cerevisiae by all‐atom and coarse‐grained
MA Mozolewska, P Krupa, HA Scheraga, A Liwo Proteins: Structure, Function, and Bioinformatics 83 (8), 1414-1426, 2015 | 33 | 2015 |
| Structure and physicochemical properties of the Aβ42 tetramer: multiscale molecular dynamics simulations HL Nguyen, P Krupa, NM Hai, HQ Linh, MS Li The Journal of Physical Chemistry B 123 (34), 7253-7269, 2019 | 25 | 2019 |
| Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purpose L Ahmed, B Rasulev, S Kar, P Krupa, MA Mozolewska, J Leszczynski Nanoscale 9 (29), 10263-10276, 2017 | 25 | 2017 |
| 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 |
| Plant isoquinoline alkaloids as potential neurodrugs: A comparative study of the effects of benzo [c] phenanthridine and berberine-based compounds on β-amyloid aggregation D Marasco, C Vicidomini, P Krupa, F Cioffi, PDQ Huy, MS Li, D Florio, ... Chemico-biological interactions 334, 109300, 2021 | 23 | 2021 |
| Properties of monomeric A42 probed by different sampling methods and force fields: Role of energy components P Krupa, PD Quoc Huy, MS Li The Journal of Chemical Physics 151 (5), 055101, 2019 | 23 | 2019 |
| An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12 C Keasar, LJ McGuffin, B Wallner, G Chopra, B Adhikari, D Bhattacharya, ... Scientific reports 8 (1), 1-18, 2018 | 20 | 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 |
| Prediction of protein structure by template-based modeling combined with the UNRES force field P Krupa, MA Mozolewska, K Joo, J Lee, C Czaplewski, A Liwo Journal of Chemical Information and Modeling 55 (6), 1271-1281, 2015 | 18 | 2015 |
| What makes telomeres unique? AK Sieradzan, P Krupa, DJ Wales The Journal of Physical Chemistry B 121 (10), 2207-2219, 2017 | 16 | 2017 |
| Preventing fibril formation of a protein by selective mutation GG Maisuradze, J Medina, K Kachlishvili, P Krupa, MA Mozolewska, ... Proceedings of the National Academy of Sciences 112 (44), 13549-13554, 2015 | 16 | 2015 |
Adam LiwoUniversity of GdańskPatvirtintas el. paštas ug.edu.pl
