Nasze publikacje
Na tej stronie umieszczamy te nasze publikacje, które mają status "swobodnego dostępu". Pełną listę naszych prac znajdą Państwo na stronach pracowniczych powiązanych z biblioteczną bazą danych HUESCA: PRACOWNICY I DOKTORANCI ZESPOŁU oraz PUBLIKACJE ZESPOŁU.
2023
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, 6841
PDF
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
PDF
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
PDF
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
PDF
Wojtkowiak Kamil, Jezierska Aneta
Role of Non-Covalent Interactions in Carbonic Anhydrase I—Topiramate Complex Based on QM/MM approach
Pharmaceuticals, 2023, 16, 479
PDF
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
PDF
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
PDF
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
PDF
2022
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
PDF
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
PDF
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
PDF
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
PDF
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
PDF
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
PDF
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
PDF
Wojtkowiak Kamil, Jezierska Aneta
Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives
Molecules, 2022, 27, 8847
PDF
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
PDF
Wojtkowiak Kamil, Jezierska Aneta, Panek Jarosław J.
Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches
Symmetry, 2022, 14, 691
PDF
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
PDF
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
PDF
2021
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
PDF
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
PDF
Kułacz Karol, Pocheć Michał, Jezierska Aneta, Panek Jarosław J.
Naphthazarin derivatives in the light of intra- and intermolecular forces
Molecules, 2021, 26, 5642
PDF
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
PDF
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
PDF
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
PDF
2020
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
PDF
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
PDF
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
PDF
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
PDF
2023
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, 6841
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
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
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
Wojtkowiak Kamil, Jezierska Aneta
Role of Non-Covalent Interactions in Carbonic Anhydrase I—Topiramate Complex Based on QM/MM approach
Pharmaceuticals, 2023, 16, 479
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
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
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
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
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
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
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
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
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
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
Wojtkowiak Kamil, Jezierska Aneta
Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives
Molecules, 2022, 27, 8847
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
Wojtkowiak Kamil, Jezierska Aneta, Panek Jarosław J.
Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches
Symmetry, 2022, 14, 691
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
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
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
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
Kułacz Karol, Pocheć Michał, Jezierska Aneta, Panek Jarosław J.
Naphthazarin derivatives in the light of intra- and intermolecular forces
Molecules, 2021, 26, 5642
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
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
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
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
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
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
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