Nasze publikacje
Na tej stronie umieszczamy te nasze publikacje, które mają status „swobodnego dostępu”.
2023
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Vetter Grzegorz, Białońska Agata, Jezierska Aneta, Panek Jarosław J., Pacholska-Dudziak Ewa Heterobimetallic 21,23-dimetallaporphyrin: activation of metal–metal interactions within the porphyrinoid macrocycle Chemical Communications, 2023, 59, 6841Nowy odnośnik
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Jóźwiak Kinga, Jezierska Aneta, Panek Jarosław J., Kochel Andrzej, Filarowski Aleksander Inter- vs. Intra-Molecular Hydrogen Bond in Complexes of Nitrophthalic Acids with Pyridine International Journal of Molecular Sciences, 2023, 24, 5248
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Krupka Katarzyna M., Banach Sylwia, Pocheć Michał, Panek Jarosław J., Jezierska Aneta Making and Breaking—Insight into the Symmetry of Salen Analogues Symmetry, 2023, 15, 424
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Zierkiewicz Wiktor, Kizior Beata, Michalczyk Mariusz, Jezierska Aneta, Scheiner Steve Pd and Pt Metal Atoms as Electron Donors in σ-Hole Bonded Complexes Physical Chemistry Chemical Physics, 2023, 25, 26172
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Wojtkowiak Kamil, Jezierska Aneta Role of Non-Covalent Interactions in Carbonic Anhydrase I—Topiramate Complex Based on QM/MM approach Pharmaceuticals, 2023, 16, 479
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Michalczyk Mariusz, Wojtkowiak Kamil, Panek Jarosław J., Jezierska Aneta, Zierkiewicz Wiktor Static and Dynamical Quantum Studies of CX3-AlX2 and CSiX3-BX2 (X = F, Cl, Br) Complexes with Hydrocyanic Acid: Unusual Behavior of Strong π-Hole at Triel Center International Journal of Molecular Sciences, 2023, 24, 7881
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Kołodziejczyk Agata, Błaziak Mikołaj, Podgórniak Kinga, Jezierska Aneta, Błaziak Kacper The Malaprade reaction mechanism for ethylene glycol oxidation by periodic acid based on density functional theory (DFT) Physical Chemistry Chemical Physics, 2023, 25, 21448
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Kizior Beata, Michalczyk Mariusz, Panek Jarosław J., Zierkiewicz Wiktor, Jezierska Aneta Unraveling the Nature of Hydrogen Bonds of “Proton Sponges” Based on Car-Parrinello and Metadynamics Approaches International Journal of Molecular Sciences, 2023, 24, 1542
2022
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Wojtkowiak Kamil, Panek Jarosław J., Jezierska Aneta Polychlorinated Biphenyls Interactions with Water—Characterization Based on the Analysis of Non-Covalent Interactions and Energy Partitioning Sustainability, 2022, 14, 12529
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Szefler Beata, Czeleń Przemysław, Wojtkowiak Kamil, Jezierska Aneta Affinities to Oxaliplatin: Vitamins from B Group vs. Nucleobases International Journal of Molecular Sciences, 2022, 23, 10567
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Wojtkowiak Kamil, Jezierska Aneta, Panek Jarosław J. Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives Molecules, 2022, 27, 2299
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Jezierska Aneta, Panek Jarosław J., Błaziak Kacper, Raczyński Kamil, Koll Aleksander Exploring intra- and intermolecular interactions in selected N-oxides : the role of hydrogen bonds. Molecules, 2022, 27, 792
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Świątek Piotr, Glomb Teresa, Dobosz Agnieszka, Gębarowski Tomasz, Wojtkowiak Kamil, Jezierska Aneta, Panek Jarosław J., Świątek Małgorzata, Strzelecka Małgorzata Biological evaluation and molecular docking studies of novel 1,3,4-oxadiazole derivatives of 4,6-dimethyl-2-sulfanylpyridine-3-carboxamide. International Journal of Molecular Sciences, 2022, 23, 549
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Wojtkowiak Kamil, Michalczyk Mariusz, Zierkiewicz Wiktor, Jezierska Aneta, Panek Jarosław J. Chalcogen Bond as a Factor Stabilizing Ligand Conformation in the Binding Pocket of Carbonic Anhydrase IX Receptor Mimic International Journal of Molecular Sciences, 2022, 23, 13701
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Krupka Katarzyna M., Pocheć Michał, Panek Jarosław J., Jezierska Aneta Comprehensive Empirical Model of Substitution—Influence on Hydrogen Bonding in Aromatic Schiff Bases International Journal of Molecular Sciences, 2022, 23, 12439
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Wojtkowiak Kamil, Jezierska Aneta Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives Molecules, 2022, 27, 8847
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Pocheć Michał, Krupka Katarzyna M., Panek Jarosław J., Orzechowski Kazimierz, Jezierska Aneta Inside Out Approach to Rotator State in Hydrogen-Bonded System — Experimental and Theoretical Cross-Examination in n-Octanol. International Journal of Molecular Sciences, 2022, 23, 2138
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Wojtkowiak Kamil, Jezierska Aneta, Panek Jarosław J. Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches Symmetry, 2022, 14, 691
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Pocheć Michał, Krupka Katarzyna M., Panek Jarosław J., Orzechowski Kazimierz, Jezierska Aneta Intermolecular interactions and spectroscopic signatures of the hydrogen-bonded system—n-octanol in experimental and theoretical studie Molecules, 2022, 27, 1225
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Strzelecka Małgorzata, Glomb Teresa, Drąg-Zalesińska Małgorzata, Kulbacka Julita, Szewczyk Anna, Saczko Jolanta, Kasperkiewicz-Wasilewska Paulina, Rembiałkowska Nina, Wojtkowiak Kamil, Jezierska Aneta, Świątek Piotr Synthesis, Anticancer Activity and Molecular Docking Studies of Novel N-Mannich Bases of 1,3,4-Oxadiazole Based on 4,6-Dimethylpyridine Scaffold International Journal of Molecular Sciences, 2022, 23, 11173
2021
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Raczyński Kamil, Pihut Andrzej, Panek Jarosław J., Jezierska Aneta Competition of intra- and intermolecular forces in anthraquinone and its selected derivatives Molecules, 2021, 26, 3448
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Pocheć Michał, Kułacz Karol, Panek Jarosław J., Jezierska Aneta How substitution combines with non-covalent interactions to modulate 1,4-naphthoquinone and its derivatives molecular features : multifactor studies International Journal of Molecular Sciences, 2021, 22, 10357
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Kułacz Karol, Pocheć Michał, Jezierska Aneta, Panek Jarosław J. Naphthazarin derivatives in the light of intra- and intermolecular forces Molecules, 2021, 26, 5642
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Jezierska Aneta, Błaziak Kacper, Klahm Sebastian, Lüchow Arne, Panek Jarosław J. Non-covalent forces in Naphthazarin—cooperativity or competition in the light of theoretical approaches. International Journal of Molecular Sciences, 2021, 22, 8033
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Panek Jarosław J., Zasada Joanna, Szyja Bartłomiej M., Kizior Beata, Jezierska Aneta Sensitivity of intra- and intermolecular interactions of benzo[h]quinoline from Car–Parrinello molecular dynamics and electronic structure inspection. International Journal of Molecular Sciences, 2021, 22, 5220
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Kizior Beata, Panek Jarosław J., Szyja Bartłomiej M., Jezierska Aneta Structure-property relationship in selected naphtho- and anthra-quinone derivatives on the basis of density functional theory and Car–Parrinello molecular dynamics Symmetry, 2021, 13, 564
2020
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Suchodolski Jakub, Derkacz Daria, Muraszko Jakub, Panek Jarosław J., Jezierska Aneta, Łukaszewicz Marcin, Krasowska Anna Fluconazole and lipopeptide surfactin interplay during Candida albicans plasma membrane and cell wall remodeling increases fungal immune system exposure. Pharmaceutics, 2020, 12, 314
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Jóźwiak Kinga, Jezierska Aneta, Panek Jarosław J., Goremychkin Eugene A., Tolstoy Peter M., Shenderovich Ilya G., Filarowski Aleksander Inter- vs. intramolecular hydrogen bond patterns and proton dynamics in nitrophthalic acid associates. Molecules, 2020, 25, 4720
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Kizior Beata, Panek Jarosław J., Jezierska Aneta Microsolvation of histidine : a theoretical study of intermolecular interactions based on AIM and SAPT approaches. Symmetry, 2020, 12, 1153
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Piękoś Patrycja, Jezierska Aneta, Panek Jarosław J., Goremychkin Eugene A., Pozharskii Alexander F., Antonov Alexander S., Tolstoy Peter M., Filarowski Aleksander Symmetry/asymmetry of the NHN hydrogen bond in protonated 1,8-bis(dimethylamino)naphthalene. Symmetry, 2020, 12, 1924
