Controlled engineering of Bi4O5Br2 and BiOBr via interactions between imidazolium ionic liquids and medium during synthesis as a simple method for enhancement of photocatalytic act... von Bielicka-Giełdoń, Aleksandra, Wilczewska, Patrycja, Ślusarz, Rafał, Terzyk, Artur P, Parnicka, Patrycja, Szczodrowski, Karol, Ryl, Jacek, Qi, Fei, Siedlecka, E M

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Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets von Karczyńska, Agnieszka, Mozolewska, Magdalena A., Krupa, Paweł, Giełdoń, Artur, Bojarski, Krzysztof K., Zaborowski, Bartłomiej, Liwo, Adam, Ślusarz, Rafał, Ślusarz, Magdalena, Lee, Jooyoung, Joo, Keehyoung, Czaplewski, Cezary

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Performance of protein-structure predictions with the physics-based UNRES force field in CASP11 von Krupa, Paweł, Mozolewska, Magdalena A, Wiśniewska, Marta, Yin, Yanping, He, Yi, Sieradzan, Adam K, Ganzynkowicz, Robert, Lipska, Agnieszka G, Karczyńska, Agnieszka, Ślusarz, Magdalena, Ślusarz, Rafał, Giełdoń, Artur, Czaplewski, Cezary, Jagieła, Dawid, Zaborowski, Bartłomiej, Scheraga, Harold A, Liwo, Adam

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Multi-GPU-powered UNRES package for physics-based coarse-grained simulations of structure, dynamics, and thermodynamics of protein systems at biological size- and timescales von Czaplewski, Cezary R., Czarnul, Pawel, Krawczyk, Henryk, Lipska, Agnieszka G., Lubecka, Emilia A., Ocetkiewicz, Krzysztof M., Proficz, Jerzy, Sieradzan, Adam K., Slusarz, Rafal, Liwo, Jozef A.

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Interactions of vasopressin and oxytocin receptors with vasopressin analogues substituted in position 2 with 3,3′-diphenylalanine - a molecular docking study von Ślusarz, Magdalena J., Sikorska, Emilia, Ślusarz, Rafał

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Extension of the UNRES Coarse-Grained Force Field to Membrane Proteins in the Lipid Bilayer von Ziȩba, Karolina, Ślusarz, Magdalena, Ślusarz, Rafał, Liwo, Adam, Czaplewski, Cezary, Sieradzan, Adam K

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Molecular Docking-Based Study of Vasopressin Analogues Modified at Positions 2 and 3 with N-Methylphenylalanine:  Influence on Receptor-Bound Conformations and Interactions with Va... von Ślusarz, Magdalena J., Sikorska, Emilia, Ślusarz, Rafał, Ciarkowski, Jerzy

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Influence of bulky 3,3′-diphenylalanine enantiomers replacing position 2 of AVP analogues on their conformations: NMR and molecular modeling studies von Sikorska, Emilia, Kwiatkowska, Anna, Sobolewski, Dariusz, Ślusarz, Rafał, Ślusarz, Magdalena J.

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Extension of the Unres Package for Physics-Based Coarse-Grained Simulations of Proteins and Protein Complexes to Very Large Systems von Sieradzan, Adam K., Czaplewski, Cezary R., Lubecka, Emilia A., Lipska, Agnieszka G., Karczynska, Agnieszka S., Gieldon, Artur P., Slusarz, Rafal, Makowski, Mariusz, Krupa, Pawel, Kogut, Mateusz, Antoniak, Anna, Wesolowski, Patryk A., Augustynowicz, Antoni, Leszczynski, Henryk, Liwo, Jozef A.

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A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions von 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

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Conformational stability of the full-atom hexameric model of the ClpB chaperone from Escherichia coli von Ziętkiewicz, Szymon, Ślusarz, Magdalena J., Ślusarz, Rafał, Liberek, Krzysztof, Rodziewicz-Motowidło, Sylwia

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Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment von Lensink, Marc F, Brysbaert, Guillaume, Raouraoua, Nessim, Bates, Paul A, Giulini, Marco, Honorato, Rodrigo V, van Noort, Charlotte, Teixeira, Joao M C, Bonvin, Alexandre M J J, Kong, Ren, Shi, Hang, Lu, Xufeng, Liu, Jian, Guo, Zhiye, Chen, Xiao, Morehead, Alex, Roy, Raj S, Wu, Tianqi, Quadir, Farhan, Chen, Chen, Cheng, Jianlin, Del Carpio, Carlos A, Rodriguez-Lumbreras, Luis A, Fernandez-Recio, Juan, Chu, Lee-Shin, Canner, Sam, Smanta, Rituparna, Gray, Jeffrey J, Li, Hao, He, Jiahua, Tao, Huanyu, Huang, Sheng-You, Roel-Touris, Jorge, Jimenez-Garcia, Brian, Christoffer, Charles W, Jain, Anika J, Kagaya, Yuki, Kannan, Harini, Nakamura, Tsukasa, Verburgt, Jacob C, Zhang, Yuanyuan, Zhang, Zicong, Fujuta, Hayato, Sekijima, Masakazu, Kihara, Daisuke, Khan, Omeir, Kotelnikov, Sergei, Ghani, Usman, Padhorny, Dzmitry, Vajda, Sandor, Kozakov, Dima, Ricciardelli, Tiziana, Barradas-Bautista, Didier, Cao, Zhen, Chawla, Mohit, Cavallo, Luigi, Oliva, Romina, Yin, Rujie, Cheung, Melyssa, Guest, Johnathan D, Lee, Jessica, Pierce, Brian G, Shor, Ben, Cohen, Tomer, Halfon, Matan, Schneidman-Duhovny, Dina, Zhu, Shaowen, Sun, Yuanfei, Maszota-Zieleniak, Martyna, Bojarski, Krzysztof K, Lubecka, Emilia A, Danielsson, Annemarie, Dziadek, Lukasz, Gaardlos, Margrethe, Gieldon, Artur, Liwo, Adam, Samsonov, Sergey A, Slusarz, Rafal, Zieba, Karolina, Sieradzan, Adam K, Kobayashi, Shinpei, Miyakawa, Yuta, Kiyota, Yasuomi, Takeda-Shitaka, Mayuko, Valancauskas, Lukas, Dapkunas, Justas, Venclovas, Ceslovas, Wallner, Bjorn, Yang, Lin, Hou, Chengyu, He, Xiaodong, Guo, Shuai, Jiang, Shenda, Ma, Xiaoliang, Duan, Rui, Qui, Liming, Xu, Xianjin, Zou, Xiaoqin, Velankar, Sameer, Wodak, Shoshana J

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Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13 von Karczyńska, Agnieszka S, Ziȩba, Karolina, Uciechowska, Urszula, Mozolewska, Magdalena A, Krupa, Paweł, Lubecka, Emilia A, Lipska, Agnieszka G, Sikorska, Celina, Samsonov, Sergey A, Sieradzan, Adam K, Giełdoń, Artur, Liwo, Adam, Ślusarz, Rafał, Ślusarz, Magdalena, Lee, Jooyoung, Joo, Keehyoung, Czaplewski, Cezary

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NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide von Ślusarz, Rafał, Dmochowska, Barbara, Samaszko-Fiertek, Justyna, Brzozowski, Krzysztof, Madaj, Janusz

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Efficient synthesis and antifungal investigation of nucleosides’ quaternaryammonium salt derivatives von DMOCHOWSKA, Barbara, PELLOWSKA-JANUSZEK, Lucyna, SAMASZKO-FIERTEK, Justyna, SLUSARZ, Rafal, WAKIEC, Roland, MADAJ, Janusz

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The Quaternization Reaction of 5-O-Sulfonates of Methyl 2,3-o-Isopropylidene-beta-D-Ribofuranoside with Selected Heterocyclic and Aliphatic Amines von Dmochowska, Barbara, Slusarz, Rafal, Chojnacki, Jaroslaw, Samaszko-Fiertek, Justyna, Madaj, Janusz

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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment von Antoniak, Anna, Biskupek, Iga, Bojarski, Krzysztof K., Czaplewski, Cezary, Giełdoń, Artur, Kogut, Mateusz, Kogut, Małgorzata M., Krupa, Paweł, Lipska, Agnieszka G., Liwo, Adam, Lubecka, Emilia A., Marcisz, Mateusz, Maszota-Zieleniak, Martyna, Samsonov, Sergey A., Sieradzan, Adam K., Ślusarz, Magdalena J., Ślusarz, Rafał, Wesołowski, Patryk A., Ziȩba, Karolina

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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment von 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

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Molecular modeling of Gram-positive bacteria peptidoglycan layer, selected glycopeptide antibiotics and vancomycin derivatives modified with sugar moieties von Ślusarz, Rafał, Szulc, Monika, Madaj, Janusz

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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions von Ślusarz, Rafał, Lubecka, Emilia A, Czaplewski, Cezary, Liwo, Adam

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