Wydział Chemii

Sumaryczny impact factor: 332.879

Liczba publikacji: 106

1. Glomb Teresa, Środa-Pomianek Kamila, Palko-Łabuz Anna, Wesołowska Olga, Wikiera Agnieszka, Wojtkowiak Kamil, Jezierska Aneta, Kochel Andrzej, Lesyk Roman, Świątek Piotr
New Hydrazone Derivatives Based on Pyrazolopyridothiazine Core as Cytotoxic Agents to Colon Cancers: Design, Synthesis, Biological Evaluation, and Molecular Modeling
ChemMedChem, 2025, e202400687/1-e202400687/19
IF: 3.6
10.1002/cmdc.202400687
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2. Kizior Beata, Szatyłowicz Halina, Krygowski Tadeusz M., Panek Jarosław J., Zierkiewicz Wiktor, Jezierska Aneta
Proton Changes the Rules of the Game: Insight into the Nature of "Proton Sponges"
ChemPhysChem, 2025, e202400972/1-e202400972/14
IF: 2.3
10.1002/cphc.202400972
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3. Redzicka Aleksandra, Wojtkowiak Kamil, Kochel Andrzej, Wiatrak Benita, Jęśkowiak-Kossakowska Izabela, Jezierska Aneta
Structure-Activity relationship of 5‑butyl‑4,6-dimethyl-2-{[4-(o-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-pyrrolo[3,4-c]pyrrole-1,3(2H,5H)‑dione: An experimental and theoretical study
Journal of Molecular Structure, 2025, 1322, 140027/1-140027/17
IF: 4
10.1016/j.molstruc.2024.140027
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4. Wierzbowska Małgorzata, Wojtkowiak Kamil, Mikłas Alicja, Jezierska Aneta
Consequences of the Pb–S Bond Formation for Lead Halide Perovskites
Chemistry-A European Journal, 2024, 30, e202402205/1-e202402205/9
IF: 3.9
10.1002/chem.202402205
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5. Pehlivan Özge, Wojtkowiak Kamil, Jezierska Aneta, Waliczek Mateusz, Stefanowicz Piotr
Photochemical Transformations of Peptides Containing the N-(2-Selenoethyl)glycine Moiety
ACS Omega, 2024, 9, 16775-16791
IF: 3.7
10.1021/acsomega.4c01015
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6. Jóźwiak Kinga, Jezierska Aneta, Panek Jarosław J., Łydżba-Kopczyńska Barbara, Filarowski Aleksander
Renewed spectroscopic and theoretical research of hydrogen bonding in ascorbic acid
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2024, 320, 124585/1-124585/9
IF: 4.3
10.1016/j.saa.2024.124585
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7. Jóźwiak Kinga, Jezierska Aneta, Panek Jarosław J., Kochel Andrzej, Łydżba-Kopczyńska Barbara, Filarowski Aleksander
Very Strong Hydrogen Bond in Nitrophthalic Cocrystals
Molecules, 2024, 29, 3565/1-3565/19
IF: 4.2
10.3390/molecules29153565
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8. Kułacz Karol, Szyja Bartłomiej M., Orzechowski Kazimierz, Jezierska Aneta
Dehydroxylation of smectites from Nudged Elastic Band and Born-Oppenheimer Molecular Dynamics simulations
Applied Clay Science, 2023, 238, 106880/1-106880/12
IF: 5.3
10.1016/j.clay.2023.106880
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9. 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, 6841-6844
IF: 4.3
10.1039/D3CC01367G
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10. 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, 5248/1-5248/14
IF: 4.9
10.3390/ijms24065248
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11. 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, 424/1-424/22
IF: 2.2
10.3390/sym15020424
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12. Kizior Beata, Jezierska Aneta, Szyja Bartłomiej M.
Partial Methane Oxidation to Methanol on Ru‐Porphyrins – on the Role of Non‐Innocent Ligands and Spin Crossover
ChemPhysChem, 2023, 24, e202300499/1-e202300499/14
IF: 2.3
10.1002/cphc.202300499
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13. 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, 26172-26184
IF: 2.9
10.1039/d3cp03171c
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14. Wojtkowiak Kamil, Jezierska Aneta
Role of Non-Covalent Interactions in Carbonic Anhydrase I—Topiramate Complex Based on QM/MM approach
Pharmaceuticals, 2023, 16, 479/1-479/18
IF: 4.3
10.3390/ph16040479
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15. 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, 7881/1-7881/20
IF: 4.9
10.3390/ijms24097881
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16. 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, 21448-21455
IF: 2.9
10.1039/d2cp04764k
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17. 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, 1542/1-1542/22
IF: 4.9
10.3390/ijms24021542
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18. Kochel Andrzej, Hołyńska Małgorzata, Twaróg Kamil, Jezierska Aneta, Panek Jarosław J., Wojaczyński Jacek
A new mixed-valence Cu^I/Cu^II three-dimensional coordination polymer constructed with an N,O-donor ligand generated via solvothermal synthesis: structural features and magnetic properties.
Acta Crystallographica Section C: Structural Chemistry, 2022, C78, 405-413
IF: 0.8
10.1107/s2053229622005812
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19. Szefler Beata, Czeleń Przemysław, Wojtkowiak Kamil, Jezierska Aneta
Affinities to Oxaliplatin: Vitamins from B Group vs. Nucleobases
International Journal of Molecular Sciences, 2022, 23, 10567/1-10567/15
IF: 5.6
10.3390/ijms231810567
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20. 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, 549/1-549/25
IF: 5.6
10.3390/ijms23010549
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21. 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, 13701/1-13701/20
IF: 5.6
10.3390/ijms232213701
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22. 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, 12439/1-12439/19
IF: 5.6
10.3390/ijms232012439
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23. Czeluśniak Izabela, Jezierska Aneta, Siczek Miłosz
Dimerization of aryl alkynes by Grubbs-Hoveyda complex: investigation of factors affecting the efficiency of the process based on experimental and theoretical approaches
Polyhedron, 2022, 225, 116067/1-116067/11
IF: 2.6
10.1016/j.poly.2022.116067
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24. 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, 792/1-792/19
IF: 4.6
10.3390/molecules27030792
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25. Wojtkowiak Kamil, Jezierska Aneta
Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives
Molecules, 2022, 27, 8847/1-8847/16
IF: 4.6
10.3390/molecules27248847
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26. 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, 2138/1-2138/16
IF: 5.6
10.3390/ijms23042138
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27. Wojtkowiak Kamil, Jezierska Aneta, Panek Jarosław J.
Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches
Symmetry, 2022, 14, 691/1-691/19
IF: 2.7
10.3390/sym14040691
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28. 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 studies.
Molecules, 2022, 27, 1225/1-1225/25
IF: 4.6
10.3390/molecules27041225
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29. 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, 12529/1-12529/16
IF: 3.9
10.3390/su141912529
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30. 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, 2299/1-2299/24
IF: 4.6
10.3390/molecules27072299
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31. 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, 11173/1-11173/24
IF: 5.6
10.3390/ijms231911173
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32. Raczyński Kamil, Pihut Andrzej, Panek Jarosław J., Jezierska Aneta
Competition of intra- and intermolecular forces in anthraquinone and its selected derivatives.
Molecules, 2021, 26, 3448/1-3448/21
IF: 4.927
10.3390/molecules26113448
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33. 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, 10357/1-10357/19
IF: 6.208
10.3390/ijms221910357
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34. Kułacz Karol, Pocheć Michał, Jezierska Aneta, Panek Jarosław J.
Naphthazarin derivatives in the light of intra- and intermolecular forces.
Molecules, 2021, 26, 5642/1-5642/25
IF: 4.927
10.3390/molecules26185642
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35. 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, 8033/1-8033/22
IF: 6.208
10.3390/ijms22158033
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36. Jezierska Aneta, Kizior Beata, Szyja Bartłomiej M., Panek Jarosław J.
On the nature of inter- and intramolecular interactions involving benzo[h]quinoline and 10-hydroxybenzo[h]quinoline: electronic ground state vs excited state study.
Journal of Molecular Structure, 2021, 1234, 130126/1-130126/11
IF: 3.841
10.1016/j.molstruc.2021.130126
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37. 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, 5220/1-5220/22
IF: 6.208
10.3390/ijms22105220
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38. 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, 564/1-564/18
IF: 2.94
10.3390/sym13040564
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39. 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, 314/1-314/22
IF: 6.321
10.3390/pharmaceutics12040314
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40. 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, 4720/1-4720/22
IF: 4.411
10.3390/molecules25204720
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41. 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, 1153/1-1153/19
IF: 2.713
10.3390/sym12071153
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42. Starosta Radosław, de Almeida Rodrigo F. M., Puchalska Małgorzata, Białońska Agata, Panek Jarosław J., Jezierska Aneta, Szmigiel Ida, Suchodolski Jakub, Krasowska Anna
New anticandidal Cu(I) complexes with neocuproine and ketoconazole derived diphenyl(aminomethyl)phosphane : luminescence properties for detection in fungal cells.
Dalton Transactions, 2020, 49, 8528-8539
IF: 4.39
10.1039/d0dt01162b
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43. 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, 1924/1-1924/26
IF: 2.713
10.3390/sym12111924
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44. Jezierska Aneta, Panek Jarosław J.
Theoretical study of intramolecular hydrogen bond in selected symmetric “proton sponges” on the basis of DFT and CPMD methods.
Journal of Molecular Modeling, 2020, 26, 37/1-37/10
IF: 1.81
10.1007/s00894-020-4296-9
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45. Jezierska Aneta, Panek Jarosław J.
Cooperativity of hydrogen bonding network in microsolvated biotin, the ligand of avidin class proteins.
Journal of Molecular Modeling, 2019, 25, 361/1-361/7
IF: 1.346
10.1007/s00894-019-4253-7
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46. Jezierska Aneta, Tolstoy Peter M., Panek Jarosław J., Filarowski Aleksander
Intramolecular hydrogen bonds in selected aromatic compounds: recent developments.
Catalysts, 2019, 9, 909/1-909/19
IF: 3.52
10.3390/catal9110909
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47. de Almeida Rodrigo F. M., Santos Filipa C., Marycz Krzysztof, Alicka Michalina, Krasowska Anna, Suchodolski Jakub, Panek Jarosław J., Jezierska Aneta, Starosta Radosław
New diphenylphosphane derivatives of ketoconazole are promising antifungal agents.
Scientific Reports, 2019, 9, 16214/1-16214/14
IF: 3.998
10.1038/s41598-019-52525-7
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48. Panek Jarosław J., Jezierska Aneta
N-oxide derivatives: Car–Parrinello molecular dynamics and electron localization function study on intramolecular hydrogen bonds.
Journal of Physical Chemistry A, 2018, 122, 6605-6614
IF: 2.641
10.1021/acs.jpca.8b02970
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49. Kwocz Agnieszka, Panek Jarosław J., Jezierska Aneta, Hetmańczyk Łukasz, Pawlukojć Andrzej, Kochel Andrzej, Lipkowski Paweł, Filarowski Aleksander
A molecular roundabout: triple cyclically arranged hydrogen bonds in light of experiment and theory.
New Journal of Chemistry, 2018, 42, 19467-19477
IF: 3.069
10.1039/c8nj04339f
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50. Szatyłowicz Halina, Jezierska Aneta, Sadlej-Sosnowska Nina
Correlations of NBO energies of individual hydrogen bonds in nucleic acid base pairs with some QTAIM parameters.
Structural Chemistry, 2016, 27, 367-376
IF: 1.582
10.1007/s11224-015-0724-3
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51. Panek Jarosław J., Błaziak Kacper, Jezierska Aneta
Hydrogen bonds in quinoline N-oxide derivatives: first-principle molecular dynamics and metadynamics ground state study.
Structural Chemistry, 2016, 27, 65-75
IF: 1.582
10.1007/s11224-015-0720-7
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52. Jezierska Aneta, Panek Jarosław J.
"Zwitterionic proton sponge" hydrogen bonding investigations on the basis of Car-Parrinello molecular dynamics.
Journal of Chemical Information and Modeling, 2015, 55, 1148-1157
IF: 3.657
10.1021/ci500560g
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53. Panek Jarosław J., Jezierska Aneta
Hydrogen bridges of polycyclic aromatic systems with O–H···O bonds—a gas-phase vs. solid-state Car-Parrinello study.
Journal of Molecular Modeling, 2015, 21, 15/1-15/7
IF: 1.438
10.1007/s00894-014-2550-8
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54. Błaziak Kacper, Panek Jarosław J., Jezierska Aneta
Molecular reorganization of selected quinoline derivatives in the ground and excited states—Investigations via static DFT.
Journal of Chemical Physics, 2015, 143, 034301/1-034301/9
IF: 2.894
10.1063/1.4926649
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55. Jezierska Aneta
N–H···O versus O–H···O: density functional calculation and first principle molecular dynamics study on a quinoline-2-carboxamide N-oxide.
Journal of Molecular Modeling, 2015, 21, 47/1-47/10
IF: 1.438
10.1007/s00894-015-2587-3
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56. Panek Jarosław J., Jezierska-Mazzarello Aneta, Lipkowski Paweł, Martyniak Agata, Filarowski Aleksander
Comparison of resonance assisted and charge assisted effects in strengthening of hydrogen bonds in dipyrrins.
Journal of Chemical Information and Modeling, 2014, 54, 86-95
IF: 3.738
10.1021/ci400091f
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57. Panek Jarosław J., Filarowski Aleksander, Jezierska-Mazzarello Aneta
Impact of proton transfer phenomena on the electronic structure of model Schiff bases: an AIM/NBO/ELF study.
Journal of Chemical Physics, 2013, 139, 154312/1- 154312/10
IF: 3.122
10.1063/1.4825098
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58. Paluch Piotr, Kaźmierski Sławomir, Jeziorna Agata, Sniechowska Justyna, Dabrowa Kajetan, Panek Jarosław J., Jezierska-Mazzarello Aneta, Jurczak Janusz, Potrzebowski Marek J.
Influence of environmental humidity on organization and molecular dynamics of heteromacrocyclic assemblies.
Journal of Physical Chemistry B, 2013, 117, 14420-14431
IF: 3.377
10.1021/jp406308a
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59. Liu Xueping, Bereźniak Tomasz, Panek Jarosław J., Jezierska-Mazzarello Aneta
Theoretical study of zeatin - a plant hormone and potential drug for neural diseases - on the basis of DFT, MP2 and target docking.
Chemical Physics Letters, 2013, 557, 140-144
IF: 1.991
10.1016/j.cplett.2012.12.034
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60. Jezierska-Mazzarello Aneta, Panek Jarosław J., Szatyłowicz Halina, Krygowski Tadeusz M.
Hydrogen bonding as a modulator of aromaticity and electronic structure of selected ortho-hydroxybenzaldehyde derivatives.
Journal of Physical Chemistry A, 2012, 116, 460-475
IF: 2.771
10.1021/jp205730t
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61. Jezierska-Mazzarello Aneta, Szatyłowicz Halina, Krygowski Tadeusz M.
Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes.
Journal of Molecular Modeling, 2012, 18, 127-135
IF: 1.984
10.1007/s00894-011-1044-1
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62. Martyniak Agata, Panek Jarosław, Jezierska-Mazzarello Aneta, Filarowski Aleksander
Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines.
Journal of Computer-Aided Molecular Design, 2012, 26, 1045-1053
IF: 3.172
10.1007/s10822-012-9597-3
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63. Ryng Stanisław, Zimecki Michał, Jezierska-Mazzarello Aneta, Panek Jarosław J., Mączyński Marcin, Głowiak Tadeusz, Sawka-Dobrowolska Wanda, Koll Aleksander
A complex study of 5-amino-3-methyl-4-[2-(5-amino-1,3,4-oxadiazolo)]-isoxazole monohydrate: A new low-molecular-weight immune response modifier.
Journal of Molecular Structure, 2011, 999, 60-67
IF: 1.634
10.1016/j.molstruc.2011.05.031
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64. Jezierska-Mazzarello Aneta, Panek Jarosław J., Vuilleumier R., Koll Aleksander, Ciccotti G.
Direct observation of the substitution effects on the hydrogen bridge dynamics in selected Schiff bases—A comparative molecular dynamics study.
Journal of Chemical Physics, 2011, 134, 034308 /1-034308 /10
IF: 3.333
10.1063/1.3528721
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65. Szatyłowicz Halina, Krygowski Tadeusz M., Jezierska-Mazzarello Aneta
Hydroxyl group as a substituent with varying electronic properties: effect of strength of H-bonding on charge density changes in Ph-OH…F^- complexes.
Journal of Molecular Modeling, 2011, 17, 125-131
IF: 1.797
10.1007/s00894-010-0703-y
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66. Panek Jarosław J., Mazzarello R., Novič M., Jezierska-Mazzarello Aneta
Impact of mercury(II) on proteinase K catalytic center: investigations via classical and Born-Oppenheimer molecular dynamics.
Molecular Diversity, 2011, 15, 215-226
IF: 3.153
10.1007/s11030-010-9256-3
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67. Minovski N., Jezierska-Mazzarello Aneta, Vračko Marjan, Šolmajer T.
Investigation of 6-fluoroquinolones activity against Mycobacterium tuberculosis using theoretical molecular descriptors : a case study.
Central European Journal of Chemistry, 2011, 9, 855-866
IF: 1.073
10.2478/s11532-011-0071-1
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68. Panek Jarosław J., Jezierska-Mazzarello Aneta, Koll Aleksander, Dovbeshko Galina, Fesenko Olena
p-nitrobenzoic acid adsorption on nanostructured gold surfaces investigated by combined experimental and computational approaches.
ChemPhysChem, 2011, 12, 2485-2495
IF: 3.412
10.1002/cphc.201100067
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69. Jezierska Aneta, Panek Jarosław J., Żukowska G. Z., Sporzyński A.
A combined experimental and theoretical study of benzoxaborole derivatives by Raman and IR spectroscopy, static DFT, and first-principle molecular dynamics.
Journal of Physical Organic Chemistry, 2010, 23, 451-460
IF: 1.478
10.1002/poc.1625
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70. Fjodorova N., Vračko Marjan, Jezierska Aneta, Novič M.
Counter propagation artificial neural network categorical models for prediction of carcinogenicity for non-congeneric chemicals.
SAR and QSAR in Environmental Research, 2010, 21, 57-75
IF: 1.56
10.1080/10629360903563250
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71. Panek Jarosław J., Ward T. R., Jezierska-Mazzarello Aneta, Novič M.
Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin—an insight from molecular dynamics simulations with classical and ab initio force fields.
Journal of Computer-Aided Molecular Design, 2010, 24, 719-732
IF: 3.374
10.1007/s10822-010-9369-x
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72. Jezierska-Mazzarello Aneta, Vuilleumier R., Panek Jarosław J., Ciccotti G.
Molecular property investigations of anortho-hydroxy Schiff base type compound with the first-principle molecular dynamics approach.
Journal of Physical Chemistry B, 2010, 114, 242-253
IF: 3.603
10.1021/jp903501m
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73. Fjodorova N., Vračko Marjan, Tušar M., Jezierska Aneta, Novič M., Kühne R., Schűűrmann G.
Quantitative and qualitative models for carcinogenicity prediction for non-congeneric chemicals using CP ANN method for regulatory uses.
Molecular Diversity, 2010, 14, 581-594
IF: 3.721
10.1007/s11030-009-9190-4)
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74. Panek Jarosław J., Ward T. R., Jezierska Aneta, Novič M.
Effects of tryptophan residue fluorination on streptavidin stability and biotin-streptavidin interactions via molecular dynamics simulations.
Journal of Molecular Modeling, 2009, 15, 257-266
IF: 2.336
10.1007/s00894-008-0382-0
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75. Szatyłowicz Halina, Krygowski Tadeusz M., Jezierska Aneta, Panek Jarosław J.
Interrelations between the mesomeric and electronegativity effects in para-substituted derivatives of phenol/phenolate and aniline/anilide H-bonded complexes: a DFT-based computational study.
Journal of Physical Chemistry A, 2009, 113, 5800-5805
IF: 2.899
10.1021/jp8109258
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76. Jezierska Aneta, Panek Jarosław J.
Investigations of an O—H···S hydrogen bond via Car-Parrinello and path integral molecular dynamics.
Journal of Computational Chemistry, 2009, 30, 1241-1250
IF: 3.769
10.1002/jcc.21158
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77. Jezierska Aneta, Panek Jarosław J., Mazzarello R.
Structural and electronic structure differences due to the O–H···O and O–H···S bond formation in selected benzamide derivatives: a first-principles molecular dynamics study.
Theoretical Chemistry Accounts, 2009, 124, 319-330
IF: 2.584
10.1007/s00214-009-0612-2
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78. Jezierska Aneta, Novič M., Panek Jarosław J.
The nature of hydrogen bonding in selected hydrazide derivatives investigated via static models and Car-Parrinello molecular dynamics.
Polish Journal of Chemistry, 2009, 83, 799-819
IF: 0.523

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79. Jezierska Aneta, Panek Jarosław J.
First-principle molecular dynamics study of selected Schiff and Mannich bases: application of two-dimensional potential of mean force to systems with strong intramolecular hydrogen bonds.
Journal of Chemical Theory and Computation, 2008, 4, 375-384
IF: 4.274
10.1021/ct7002644
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80. Szatyłowicz Halina, Krygowski Tadeusz M., Panek Jarosław J., Jezierska Aneta
H-bonded complexes of aniline with HF/F^- and anilide with HF in terms of symmetry-adapted perturbation, atoms in molecules , and natural bond orbitals theories.
Journal of Physical Chemistry A, 2008, 112, 9895-9905
IF: 2.871
10.1021/jp803592v
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81. Cyrański Michał K., Jezierska Aneta, Klimentowska P., Panek Jarosław J., Sporzyński A.
Impact of intermolecular hydrogen bond on structural properties of phenylboronic acid: quantum chemical and X-ray study.
Journal of Physical Organic Chemistry, 2008, 21, 472-482
IF: 1.415
10.1002/poc.1389
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82. Jezierska Aneta, Panek Jarosław J., Koll Aleksander
Spectroscopic properties of a strongly anharmonic Mannich base N-oxide.
ChemPhysChem, 2008, 9, 839-846
IF: 3.636
10.1002/cphc.200700769
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83. Cyrański Michał K., Jezierska Aneta, Klimentowska P., Panek Jarosław J., Żukowska G. Z., Sporzyński A.
Structural and spectroscopic properties of an aliphatic boronic acid studied by combination of experimental and theoretical methods.
Journal of Chemical Physics, 2008, 128, 124512/1-124512/9
IF: 3.149
10.1063/1.2885053
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84. Kołodziejczak Jerzy, Jezierska Aneta, Panek Jarosław J., De Borggraeve W. M., Kochel Andrzej, Jose R. A., Koll Aleksander
Structural property investgations of 1-[2-(2-methoxyphenyl)ethyl]piperidinium chloride: an experimental and computational study.
Journal of Molecular Structure, 2008, 891, 184-191
IF: 1.594
10.1016/j.molstruc.2008.03.022
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85. Jezierska Aneta, Panek Jarosław, Borštnik U., Mavri J., Janežič D.
Car-Parrinello molecular dynamics study of anharmonic systems: a Mannich base in solution.
Journal of Physical Chemistry B, 2007, 111, 5243-5248
IF: 4.086
10.1021/jp068676p
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86. Jezierska Aneta, Panek Jarosław J., Koll Aleksander, Mavri J.
Car-Parrinello simulation of an O-H stretching envelope and potential of mean force of an intramolecular hydrogen bonded system: application to a Mannich base in solid state and in vacuum.
Journal of Chemical Physics, 2007, 126, 205101/1-205101/9
IF: 3.044
10.1063/1.2736692
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87. Jezierska Aneta, Panek Jarosław J., Filarowski Aleksander
Molecular properties investigation of a substituted aromatic Mannich base: dynamic and static models.
Journal of Chemical Information and Modeling, 2007, 47, 818-831
IF: 2.986
10.1021/ci600490s
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88. Herrera F. E., Zucchelli S., Jezierska Aneta, Lavina Z. S., Gustincich S., Carloni P.
On the oligomeric state of DJ-1 protein and its mutants associated with Parkinson disease. A combined computational and in vitro study.
Journal of Biological Chemistry, 2007, 282, 24905-24914
IF: 5.581
10.1074/jbc.M701013200
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89. Panek Jarosław J., Jezierska Aneta
Symmetry-adapted perturbation theory analysis of the N···HX hydrogen bonds.
Journal of Physical Chemistry A, 2007, 111, 650-655
IF: 2.918
10.1021/jp063217+
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90. Jezierska Aneta, Jerzykiewicz Lucjan B., Kołodziejczak Jerzy, Sobczak Jarosław M.
Synthesis, X-ray crystal structure and DFT study of potential ligands of (2Z)-3-[(2-hydroxyphenyl)amino]--1-phenyl"alk"-2en-1-one type.
Journal of Molecular Structure, 2007, 839, 33-40
IF: 1.486
10.1016/j.molstruc.2006.11.006
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91. Konopacka Aleksandra, Pająk Joanna, Jezierska Aneta, Panek Jarosław, Ramaekers R., Maes G., Pawełka Zbigniew
Solvent influence on the rotational isomerism in terephthalaldehyde.
Structural Chemistry, 2006, 17, 177-188
IF: 1.51
10.1007/s11224-006-9028-y
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92. Panek Jarosław, Jezierska Aneta, Vračko Marjan
Kohonen network study of aromatic compounds based on electronic and nonelectronic structure descriptors.
Journal of Chemical Information and Modeling, 2005, 45, 264-272
IF: 2.923
10.1021/ci049752t
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93. Panek Jarosław, Jezierska Aneta, Mierzwicki Krzysztof, Latajka Zdzisław, Koll Aleksander
Molecular modeling study of leflunomide and its active metabolite analogues.
Journal of Chemical Information and Modeling, 2005, 45, 39-48
IF: 2.923
10.1021/ci049754d
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94. Malinka Wiesław, Świątek Piotr, Filipek Barbara, Sapa Jacek, Jezierska Aneta, Koll Aleksander
Synthesis, analgesic activity and computational study of new isothiazolopyridines of Mannich base type.
Il Farmaco, 2005, 60, 961-968
10.1016/j.farmac.2005.08.005
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95. Jezierska Aneta, Vračko Marjan, Basak Subhash C.
Counter-propagation artificial neural network as a tool for the independent variable selection : structure-mutagenicity study on aromatic amines.
Molecular Diversity, 2004, 8, 371-377
10.1023/B:MODI.0000047502.66802.3d
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96. Stare J., Jezierska Aneta, Ambrožič G., Košir I. J., Kidrič J., Koll Aleksander, Mavri J., Hadži D.
Density functional calculation of the 2D potential surface and deuterium isotope effect on ¹³C chemical shifts in picolinic acid N-oxide. Comparison with experiment.
Journal of the American Chemical Society, 2004, 126, 4437-4443
IF: 6.903
10.1021/ja021345f
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97. Jezierska Aneta, Mączyński Marcin, Koll Aleksander, Ryng Stanisław
Structure activity investigations of 5-substituted 3-methylisoxazole[5,4-d]1,2,3-triazin-4-one derivatives.
Archiv der Pharmazie. Pharmaceutical and Medicinal Chemistry, 2004, 337, 81-89
IF: 0.653
10.1002/ardp.200300757
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98. Jezierska Aneta, Panek Jarosław, Ryng Stanisław, Głowiak Tadeusz, Koll Aleksander
An experimental and theoretical structural study of 5-amino-3-methylisoxazolo-4-carboxylic acid p-chlorophenylamide.
Journal of Molecular Modeling, 2003, 9, 159-163
IF: 2.135
10.1007/s00894-003-0125-1
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99. Jezierska Aneta, Panek Jarosław, Ryng Stanisław
DFT study of a novel lead structure in the isoxazole heterocyclic system.
Journal of Molecular Structure-Theochem, 2003, 636, 203-214
IF: 1.027
10.1016/S0166-1280(03)00482-2
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100. Mazzatorta Paolo, Vračko Marjan, Jezierska Aneta, Benfenati E.
Modeling toxicity by using supervised Kohonen neutral networks.
Journal of Chemical Information and Computer Sciences, 2003, 43, 485-492
IF: 3.078
10.1021/ci0256182
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101. Ryng Stanisław, Zimecki Michał, Fedorowicz Adam, Jezierska Aneta, Głowiak Tadeusz
Search for new lead structures in the isoxazole heterocyclic system.
Acta Poloniae Pharmaceutica, 2003, 60, 225-228
https://www.ptfarm.pl/pub/File/Acta_Poloniae/2003/3/225.pdf
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102. Mączyński Marcin, Jezierska Aneta, Zimecki Michał, Ryng Stanisław
Synthesis, immunological activity and theoretical study of new 5-substituted 3-methylisoxazole[5,4-d] 1,2,3-triazin-4-one derivatives.
Acta Poloniae Pharmaceutica, 2003, 60, 147-150
https://www.ptfarm.pl/pub/File/Acta_Poloniae/2003/2/147.pdf
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103. Jezierska Aneta, Zygmunt J., Głowiak Tadeusz, Koll Aleksander, Ryng Stanisław
Synthesis, X-ray crystallography and computer-aided design study of 5-amino-3-methylisoxazole-4-carboxylic acid N-(2,4,6-trimethylpyridinium)amide chlorate(VII) salt and its analogues.
Polish Journal of Chemistry, 2003, 77, 1461-1471
IF: 0.515

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104. Jezierska Aneta, Panek Jarosław, Ryng Stanisław, Zimecki Michał, Fedorowicz Adam, Koll Aleksander
Quantum-chemical study with application of the PCM model on correlation between biological activity and molecular structure of 5-amino-3-methylisoxazole-4-carboxylic acid hydrazide Schiff base derivatives.
Polish Journal of Chemistry, 2002, 76, 1255-1262
IF: 0.528

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105. Fedorowicz Adam, Jezierska Aneta, Ryng Stanisław
Quantum-chemical study of relationship between immunological activity and molecular structure of 5-amino-3-methylisoxazole-4-carboxylic acid phenylamides. (See: http://www.ijc.com/articles/2001v4/184/front.page.html).
Internet Journal of Chemistry, 2001, 4, 1-22
IF: 0.667

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106. Ryng Stanisław, Zimecki Michał, Fedorowicz Adam, Jezierska Aneta
Reactions of 5-amino-3-methylisoxazole-4-carboxylic acid hydrazide with carbonyl compounds: immunological activity and QSAR studies of products.
Archiv der Pharmazie. Pharmaceutical and Medicinal Chemistry, 2001, 334, 71-78
IF: 0.891
http://dx.doi.org/10.1002/1521-4184(200103)334:3<71::AID-ARDP71>3.0.CO;2-I
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