Journal papers

  1. E.A. Lubecka, A. Liwo,
    A coarse-grained approach to NMR-data-assisted modeling of protein structures,
    J. Comput. Chem., 2022, 43, 2047-–2059,
    DOI: 10.1002/jcc.27003

  2. I. Biskupek, C. Czaplewski, J. Sawicka, E. Iłowska, M. Dzierźyńska, S. Rodziewicz-Motowidło, A. Liwo,
    Prediction of aggregation of biologically-active peptides with the UNRES coarse-grained model,
    Biomolecules, 2022, 12, 1140,
    DOI: 10.3390/biom12081140

  3. A.K. Sieradzan, J. Sans-Duñò, E.A. Lubecka, C. Czaplewski, A.G. Lipska, H. Leszczyński, K.M. Ocetkiewicz, J. Proficz, P. Czarnul H. Krawczyk, A. Liwo,
    Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins,
    J. Comput. Chem., 2023, 44, 602-–625,
    DOI: 10.1002/jcc.27026

  4. C. Sikorska, A. Liwo,
    Origin of correlations between local conformational states of consecutive amino acid residues and their role in shaping protein structures and in allostery,
    J. Phys. Chem. B, 2022, 126, 9493-−9505,
    DOI: 10.1021/acs.jpcb.2c04610

  5. R. Ślusarz, E.A. Lubecka, C. Czaplewski, A. Liwo,
    Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions,
    Frontiers Mol. Biosci., 2022, 9, 1071428,
    DOI: 10.3389/fmolb.2022.1071428

  6. A.G. Lipska, A.K. Sieradzan, C. Czaplewski, A.D. Lipińska, K.M. Ocetkiewicz, J. Proficz, P. Czarnul, H. Krawczyk, A. Liwo,
    Long-time scale simulations of virus-like particles from three human-norovirus strains,
    J. Comput. Chem., 2023, 44, 1470-1483,
    DOI: 10.1002/jcc.27087

  7. A. Liwo, M. Pyrka, C. Czaplewski, X. Peng, A.J. Niemi,
    Long-Time Dynamics of Selected Molecular-Motor Components Using a Physics-Based Coarse-Grained Approach,
    Biomolecules, 2023, 13, 941,
    DOI: 10.3390/biom13060941

  8. K.M. Ocetkiewicz, C. Czaplewski, H. Krawczyk, A.G. Lipska, A. Liwo, J. Proficz, A.K. Sieradzan, P. Czarnul,
    UNRES-GPU for physics-based coarse-grained simulations of protein systems at biological time- and size-scales,
    Bioinformatics, 2023, 39, btad391,
    DOI: 10.1093/bioinformatics/btad391

  9. A.G. Lipska, A.K. Sieradzan, S. Atmaca, C. Czaplewski, A. Liwo,
    Toward Consistent Physics-Based Modeling of Local Backbone Structures and Chirality Change of Proteins in Coarse-Grained Approaches,
    J. Phys. Chem. Lett., 2023, 14, 9824-9833,
    DOI: 10.1021/acs.jpclett.3c01988

  10. I. Biskupek, A. Giełdoń,
    Two-Stage Recognition Mechanism of the SARS-CoV-2 Receptor-Binding Domain to Angiotensin-Converting Enzyme-2 (ACE2),
    Int. J. Mol. Sci., 2024, 25, 679,
    DOI: 10.3390/ijms25010679

  11. M. Leśniewski, M. Pyrka, C. Czaplewski, N. Truong Co, Y. Jiang, Z. Gong, C. Tang, A. Liwo,
    Assessment of Two Restraint Potentials for Coarse-Grained Chemical-Cross-Link-Assisted Modeling of Protein Structures,
    Inf. Model., 2024, 64, 1377-1393,
    DOI: 10.1021/acs.jcim.3c01890

  12. K.M. Ocetkiewicz, C. Czaplewski, H. Krawczyk, A.G. Lipska, A. Liwo, J. Proficz, A.K. Sieradzan, P. Czarnul,
    Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems,
    Comput. Phys. Commun., 2024, 298, 109112,
    DOI: 10.1016/j.cpc.2024.109112


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