A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
Liwo, Adam, Sieradzan, Adam K, Lipska, Agnieszka G, Czaplewski, Cezary, Joung, InSuk, Żmudzińska, Wioletta, Hałabis, Anna, Ołdziej, Stanisław
Published in The Journal of chemical physics (21.04.2019)
Published in The Journal of chemical physics (21.04.2019)
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Lessons from application of the UNRES force field to predictions of structures of CASP10 targets
He, Yi, Mozolewska, Magdalena A., Krupa, Paweł, Sieradzan, Adam K., Wirecki, Tomasz K., Liwo, Adam, Kachlishvili, Khatuna, Rackovsky, Shalom, Jagieła, Dawid, Ślusarz, Rafał, Czaplewski, Cezary R., Ołdziej, Stanisław, Scheraga, Harold A.
Published in Proceedings of the National Academy of Sciences - PNAS (10.09.2013)
Published in Proceedings of the National Academy of Sciences - PNAS (10.09.2013)
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Journal Article
A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions
Liwo, Adam, Baranowski, Maciej, Czaplewski, Cezary, Gołaś, Ewa, He, Yi, Jagieła, Dawid, Krupa, Paweł, Maciejczyk, Maciej, Makowski, Mariusz, Mozolewska, Magdalena A., Niadzvedtski, Andrei, Ołdziej, Stanisław, Scheraga, Harold A., Sieradzan, Adam K., Ślusarz, Rafał, Wirecki, Tomasz, Yin, Yanping, Zaborowski, Bartłomiej
Published in Journal of molecular modeling (01.08.2014)
Published in Journal of molecular modeling (01.08.2014)
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Journal Article
Assessment of chemical‐crosslink‐assisted protein structure modeling in CASP13
Fajardo, J. Eduardo, Shrestha, Rojan, Gil, Nelson, Belsom, Adam, Crivelli, Silvia N., Czaplewski, Cezary, Fidelis, Krzysztof, Grudinin, Sergei, Karasikov, Mikhail, Karczyńska, Agnieszka S., Kryshtafovych, Andriy, Leitner, Alexander, Liwo, Adam, Lubecka, Emilia A., Monastyrskyy, Bohdan, Pagès, Guillaume, Rappsilber, Juri, Sieradzan, Adam K., Sikorska, Celina, Trabjerg, Esben, Fiser, Andras
Published in Proteins, structure, function, and bioinformatics (01.12.2019)
Published in Proteins, structure, function, and bioinformatics (01.12.2019)
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
Sieradzan, Adam K, Krupa, Paweł, Scheraga, Harold A, Liwo, Adam, Czaplewski, Cezary
Published in Journal of chemical theory and computation (10.02.2015)
Published in Journal of chemical theory and computation (10.02.2015)
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Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements
Zhou, Rui, Maisuradze, Gia G., Suñol, David, Todorovski, Toni, Macias, Maria J., Xiao, Yi, Scheraga, Harold A., Czaplewski, Cezary, Liwo, Adam
Published in Proceedings of the National Academy of Sciences - PNAS (23.12.2014)
Published in Proceedings of the National Academy of Sciences - PNAS (23.12.2014)
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Journal Article
Processing and Maturation of Cathepsin C Zymogen: A Biochemical and Molecular Modeling Analysis
Lamort, Anne-Sophie, Hamon, Yveline, Czaplewski, Cezary, Gieldon, Artur, Seren, Seda, Coquet, Laurent, Lecaille, Fabien, Lesner, Adam, Lalmanach, Gilles, Gauthier, Francis, Jenne, Dieter, Korkmaz, Brice
Published in International journal of molecular sciences (01.10.2019)
Published in International journal of molecular sciences (01.10.2019)
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Journal Article
Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
Lubecka, Emilia A., Karczyńska, Agnieszka S., Lipska, Agnieszka G., Sieradzan, Adam K., Ziȩba, Karolina, Sikorska, Celina, Uciechowska, Urszula, Samsonov, Sergey A., Krupa, Paweł, Mozolewska, Magdalena A., Golon, Łukasz, Giełdoń, Artur, Czaplewski, Cezary, Ślusarz, Rafał, Ślusarz, Magdalena, Crivelli, Silvia N., Liwo, Adam
Published in Journal of molecular graphics & modelling (01.11.2019)
Published in Journal of molecular graphics & modelling (01.11.2019)
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Journal Article
Prediction of Aggregation of Biologically-Active Peptides with the UNRES Coarse-Grained Model
Biskupek, Iga, Czaplewski, Cezary, Sawicka, Justyna, Iłowska, Emilia, Dzierżyńska, Maria, Rodziewicz-Motowidło, Sylwia, Liwo, Adam
Published in Biomolecules (Basel, Switzerland) (18.08.2022)
Published in Biomolecules (Basel, Switzerland) (18.08.2022)
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
Czaplewski, Cezary, Gong, Zhou, Lubecka, Emilia A, Xue, Kai, Tang, Chun, Liwo, Adam
Published in Frontiers in molecular biosciences (24.12.2021)
Published in Frontiers in molecular biosciences (24.12.2021)
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Impact of selected amino acids of HP0377 (Helicobacter pylori thiol oxidoreductase) on its functioning as a CcmG (cytochrome c maturation) protein and Dsb (disulfide bond) isomerase
Grzeszczuk, Magdalena Joanna, Bąk, Aleksandra, Banaś, Anna Marta, Urbanowicz, Paweł, Dunin-Horkawicz, Stanislaw, Gieldon, Artur, Czaplewski, Cezary, Liwo, Adam, Jagusztyn-Krynicka, Elżbieta K
Published in PloS one (20.04.2018)
Published in PloS one (20.04.2018)
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