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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
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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,
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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,
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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,
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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,
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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,
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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,
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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,
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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,
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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,
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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,
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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,
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