Sumaryczny impact factor: 701.854

Liczba publikacji: 205

1. Kowalska Marta, Wieczorek Robert, Gawryszewska Paula, Bąchor Remigiusz
A Novel Bisquaternary Ammonium Compound as an Anion Sensor—ESI-MS and Fluorescence Study
International Journal of Molecular Sciences, 2024, 25, 3467/1-3467/20
IF: 5.6
10.3390/ijms25063467

2. Szarszoń Klaudia, Mikołajczyk Aleksandra, Grelich-Mucha Manuela, Wieczorek Robert, Matera-Witkiewicz Agnieszka, Olesiak-Bańska Joanna, Rowińska-Żyrek Magdalena, Wątły Joanna
Bioinorganic chemistry of shepherin II complexes helps to fight Candida albicans?
Journal of Inorganic Biochemistry, 2024, 253, 112476/1-112476/10
IF: 3.9
10.1016/j.jinorgbio.2023.112476

3. Wyrzykowski Dariusz, Wieczorek Robert, Kloska Anna, Errante Fosca, Papini Anna Maria, Makowska Joanna
Influence of the modification of the cosmetic peptide Argireline on the affinity toward copper(II) ions
Journal of Peptide Science, 2024, 30, e3547/1-e3547/10
IF: 2.1
10.1002/psc.3547

4. 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: 4.1
10.1021/acsomega.4c01015

5. Kijewska Monika, Wołczański Grzegorz, Kosson Piotr, Wieczorek Robert, Lisowski Marek, Stefanowicz Piotr
Stapling of leu-enkephalin analogs with bifunctional reagents for prolonged analgesic activity
Chemical Communications, 2024, 60, 3023-3026
IF: 4.9
10.1039/d3cc06345c

6. Tursynova Nurgul, Maliszewska Irena Helena, Jóźwiak Kinga, Sokolnicki Jerzy, Kochel Andrzej, Lipkowski Paweł, Bartkiewicz Stanisław, Filarowski Aleksander
The photoinactivation of pathogenic bacteria using synthesized benzodioxole-BODIPY dyes
Journal of Photochemistry and Photobiology A-Chemistry, 2024, 450, 115474/1-115474/9
IF: 4.3
10.1016/j.jphotochem.2024.115474

7. Stokowa-Sołtys Kamila, Kierpiec Karolina, Szczerba Klaudia, Wieczorek Robert
Can bacteria F. nucleatum be actively involved in colon cancer progression via a radical mediated mechanism?
Journal of Inorganic Biochemistry, 2023, 246, 112307/1-112307/13
IF: 3.9
10.1016/j.jinorgbio.2023.112307

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: 5.6
10.1016/j.clay.2023.106880

9. Redzicka Aleksandra, Wiatrak Benita, Jęśkowiak-Kossakowska Izabela, Kochel Andrzej, Płaczek Remigiusz, Czyżnikowska Żaneta
Design, Synthesis, Biological Evaluation, and Molecular Docking Study of 4,6-Dimethyl-5-aryl/alkyl-2-[2-hydroxy-3-(4-substituted-1-piperazinyl)propyl]pyrrolo[3,4-c]pyrrole-1,3(2H,5H)-diones as Anti-Inflammatory Agents with Dual Inhibition of COX and LOX
Pharmaceuticals, 2023, 16, 804/1-804/26
IF: 4.6
10.3390/ph16060804

10. 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: 4.9
10.1039/D3CC01367G

11. 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: 5.6
10.3390/ijms24065248

12. 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: 2.7
10.3390/sym15020424

13. 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: 2.9
10.1002/cphc.202300499

14. 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: 3.3
10.1039/d3cp03171c

15. 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: 4.6
10.3390/ph16040479

16. 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: 5.6
10.3390/ijms24097881

17. Mastalarz Henryk, Mastalarz Agnieszka, Wietrzyk Joanna, Milczarek Magdalena, Kochel Andrzej, Regiec Andrzej
Studies on the Complexation of Platinum(II) by Some 4-Nitroisoxazoles and Testing the Cytotoxic Activity of the Resulting Complexes
Molecules, 2023, 28, 1284/1-1284/13
IF: 4.6
10.3390/molecules28031284

18. 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: 3.3
10.1039/d2cp04764k

19. 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: 5.6
10.3390/ijms24021542

20. Szczerba Klaudia, Stokowa-Sołtys Kamila
What Is the Correlation between Preeclampsia and Cancer? The Important Role of Tachykinins and Transition Metal Ions
Pharmaceuticals, 2023, 16, 366/1-366/20
IF: 4.6
10.3390/ph16030366

21. 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

22. 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

23. 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

24. 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

25. 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

26. Rola Anna, Potok Paulina, Wieczorek Robert, Mos Magdalena, Gumienna-Kontecka Elżbieta, Potocki Sławomir
Coordination Properties of the Zinc Domains of BigR4 and SmtB Proteins in Nickel Systems─Designation of Key Donors
Inorganic Chemistry, 2022, 61, 9454-9468
IF: 4.6
10.1021/acs.inorgchem.2c00319

27. 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

28. 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

29. 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

30. 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

31. 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

32. Stokowa-Sołtys Kamila, Szczerba Klaudia, Pacewicz Magdalena, Wieczorek Robert, Wezynfeld Nina E., Bal Wojciech
Interactions of neurokinin B with copper(II) ions and their potential biological consequences
Dalton Transactions, 2022, 51, 14267-14276
IF: 4
10.1039/d2dt02033e

33. 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

34. Stokowa-Sołtys Kamila, Kierpiec Karolina, Wieczorek Robert
Might Cu(II) binding, DNA cleavage and radical production by YadA fragments be involved in the promotion of F. nucleatum related cancers?
Dalton Transactions, 2022, 51, 7040-7052
IF: 4
10.1039/d2dt00328g

35. Wyrzykowski Dariusz, Kloska Anna, Zdrowowicz Magdalena, Wieczorek Robert, Makowska Joanna
Modification of amino-acid sequence of cosmetic peptide Eyeseryl enhances the affinity towards copper(II) ion
Polyhedron, 2022, 222, 115948/1-115948/11
IF: 2.6
10.1016/j.poly.2022.115948

36. Wątły Joanna, Hecel Aleksandra, Wieczorek Robert, Rowińska-Żyrek Magdalena, Kozłowski Henryk
Poly-Gly Region Regulates the Accessibility of Metal Binding Sites in Snake Venom Peptides
Inorganic Chemistry, 2022, 61, 14247-14251
IF: 4.6
10.1021/acs.inorgchem.2c02584

37. 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

38. Grocholska Paulina, Wieczorek Robert, Bąchor Remigiusz
Preparation of Deuterium-Labeled Armodafinil by Hydrogen–Deuterium Exchange and Its Application in Quantitative Analysis by LC-MS
Metabolites, 2022, 12, 578/1-578/18
IF: 4.1
10.3390/metabo12070578

39. 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

40. 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

41. Stokowa-Sołtys Kamila, Wojtkowiak Kamil, Jagiełło Karolina
Fusobacterium nucleatum – Friend or foe?
Journal of Inorganic Biochemistry, 2021, 224, 111586/1-111586/10
IF: 4.336
10.1016/j.jinorgbio.2021.111586

42. Grocholska Paulina, Kowalska Marta, Wieczorek Robert, Bąchor Remigiusz
A non-covalent dimer formation of quaternary ammonium cation with unusual charge neutralization in electrospray-ionization mass spectrometry.
Molecules, 2021, 26, 5868/1-5868/9
IF: 4.927
10.3390/molecules26195868

43. Miller Adriana, Matera-Witkiewicz Agnieszka, Mikołajczyk Aleksandra, Wieczorek Robert, Rowińska-Żyrek Magdalena
Chemical “butterfly effect” explaining the coordination chemistry and antimicrobial properties of clavanin complexes.
Inorganic Chemistry, 2021, 60, 12730-12734
IF: 5.436
10.1021/acs.inorgchem.1c02101

44. Kędziora Anna, Wieczorek Robert, Speruda Mateusz, Matolinová Iva, Goszczyński Tomasz, Litwin Ireneusz, Matolin Vladimir, Bugla-Płoskońska Gabriela
Comparison of antibacterial mode of action of silver ions and silver nanoformulations with different physico-chemical properties: experimental and computational studies.
Frontiers in Microbiology, 2021, 12, 659614/1-659614/12
IF: 6.064
10.3389/fmicb.2021.659614

45. 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

46. Stokowa-Sołtys Kamila, Dzyhovskyi Valentyn, Wieczorek Robert, Jeżowska-Bojczuk Małgorzata
Coordination pattern and reactivity of two model peptides from porin protein P1.
Journal of Inorganic Biochemistry, 2021, 215, 111332/1-111332/10
IF: 4.336
10.1016/j.jinorgbio.2020.111332

47. Iwanejko Jakub, Samadaei Mahzeiar, Pinter Matthias, Senfter Daniel, Madlener Sibylle, Kochel Andrzej, Rohr-Udilova Nataliya, Wojaczyńska Elżbieta
Cytotoxic activity of piperazin-2-one-based structures: cyclic imines, lactams, aminophosphonates, and their derivatives.
Materials, 2021, 14, 2138/1-2138/14
IF: 3.748
10.3390/ma14092138

48. Redzicka Aleksandra, Czyżnikowska Żaneta, Wiatrak Benita, Gębczak Katarzyna, Kochel Andrzej
Design and synthesis of N-substituted 3,4-pyrroledicarboximides as potential anti-inflammatory agents.
International Journal of Molecular Sciences, 2021, 22, 1410/1-1410/22
IF: 6.208
10.3390/ijms22031410

49. Stokowa-Sołtys Kamila, Wojtkowiak Kamil, Dzyhovskyi Valentyn, Wieczorek Robert
Effect of copper(II) ion binding by porin P1 precursor fragments from fusobacterium nucleatum on DNA degradation.
International Journal of Molecular Sciences, 2021, 22, 12541/1-12541/20
IF: 6.208
10.3390/ijms222212541

50. 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

51. Żamojć Krzysztof, Wyrzykowski Dariusz, Sabatino Giuseppina, Papini Anna Maria, Wieczorek Robert, Chmurzyński Lech, Makowska Joanna
Key role of histidine residues orientation in affinity binding of model pentapeptides with Ni²⁺ ions : a theoretical supported experimental study.
Journal of Molecular Liquids, 2021, 341, 117414
IF: 6.633
10.1016/j.molliq.2021.117414

52. 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

53. Bąchor Urszula, Drozd-Szczygieł Ewa, Bąchor Remigiusz, Jerzykiewicz Lucjan B., Wieczorek Robert, Mączyński Marcin
New water-soluble isoxazole-linked 1,3,4-oxadiazole derivative with delocalized positive charge.
RSC Advances, 2021, 11, 29668-29674
IF: 4.036
10.1039/D1RA05116D

54. 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

55. 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

56. 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

57. Rola Anna, Wieczorek Robert, Kozłowski Henryk, Krzywoszyńska Karolina, Potocki Sławomir
Sometimes less is more-the impact of the number of His residues on the stability of Zn(II)–SmtB and BigR4 α-5 domain complexes.
Dalton Transactions, 2021, 50, 12118-12129
IF: 4.569
10.1039/d1dt01690c

58. 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

59. Katarzyńska Joanna, Artym Jolanta, Kochanowska Iwona, Jędrzejczak Karol, Zimecki Michał, Lisowski Marek, Wieczorek Robert, Piotrowski Łukasz, Marcinek Andrzej, Zabrocki Janusz, Jankowski Stefan
4-Methylpseudoproline analogues of cyclolinopeptide A: synthesis, structural analysis and evaluation of their suppressive effects in selected immunological assays.
Peptides, 2020, 132, 170365/1-170365/11
IF: 3.75
10.1016/j.peptides.2020.170365

60. Twaróg Kamil, Hołyńska Małgorzata, Kochel Andrzej
A new photoluminescent coordination polymer constructed with an N-donor ligand having extended coordination capabilities derived from quinoline and pyridine.
Acta Crystallographica Section C: Structural Chemistry, 2020, C76, 500-506
IF: 1.172
10.1107/s2053229620004593

61. 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

62. 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

63. Melikova Sona M., Voronin Alexander P., Panek Jarosław, Frolov Nikita E., Shishkina Anastasia V., Rykounov Alexey A., Tretyakov Peter Yu., Vener Mikhail V.
Interplay of π-stacking and inter-stacking interactions in two-component crystals of neutral closed-shell aromatic compounds : periodic DFT study.
RSC Advances, 2020, 10, 27899-27910
IF: 3.361
10.1039/d0ra04799f

64. 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

65. 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

66. Sumczyński Przemysław, Wieczorek Robert, Makowski Mariusz
On the acid-base properties of pyrazine-2-thiocarboxamide and its complexes with Fe(II), Cu(II), Zn(II) and Ni(II) in polar solvents.
Journal of Molecular Liquids, 2020, 311, 113349/1-113349/14
IF: 6.165
10.1016/j.molliq.2020.113349

67. 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

68. Mastalarz Henryk, Mastalarz Agnieszka, Wietrzyk Joanna, Milczarek Magdalena, Kochel Andrzej, Regiec Andrzej
Synthesis of platinum(II) complexes with some 1-methylnitropyrazoles and in vitro research on their cytotoxic activity.
Pharmaceuticals, 2020, 13, 433/1-433/21
IF: 5.863
10.3390/ph13120433

69. 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

70. 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

71. Rowińska-Żyrek Magdalena, Więch Anna, Wątły Joanna, Wieczorek Robert, Witkowska Danuta, Ożyhar Andrzej, Orłowski Marek
Copper(II)-binding induces a unique polyproline type II helical structure within the ion-binding segment in the intrinsically disordered F-domain of ecdysteroid receptor from Aedes aegypti.
Inorganic Chemistry, 2019, 58, 11782-11792
IF: 4.825
10.1021/acs.inorgchem.9b01826

72. Pigulski Bartłomiej, Gulia Nurbey, Męcik Patrycja, Wieczorek Robert, Arendt Agata, Szafert Sławomir
Crystal engineering of 1-halopolyynes by end-group manipulation.
Crystal Growth and Design, 2019, 19, 6542-6551
IF: 4.089
10.1021/acs.cgd.9b00987

73. 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

74. 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

75. Stokowa-Sołtys Kamila, Dzyhovskyi Valentyn, Wieczorek Robert, Jeżowska-Bojczuk Małgorzata
Phleomycin complex : coordination mode and in vitro cleavage of DNA.
Journal of Inorganic Biochemistry, 2019, 195, 71-82
IF: 3.212
10.1016/j.jinorgbio.2019.03.010

76. Wątły Joanna, Hecel Aleksandra, Wieczorek Robert, Świątek-Kozłowska Jolanta, Kozłowski Henryk, Rowińska-Żyrek Magdalena
Uncapping the N-terminus of a ubiquitous His-tag peptide enhances its Cu²⁺ binding affinity.
Dalton Transactions, 2019, 48, 13567-13579
IF: 4.174
10.1039/c9dt01635j

77. 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

78. 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

79. Gerus Aleksandra, Ślepokura Katarzyna, Panek Jarosław, Turek Aleksandra, Lisowski Jerzy
Chiral cryptates derived from a hexaazamacrocycle.
Journal of Organic Chemistry, 2018, 83, 6748-6753
IF: 4.745
10.1021/acs.joc.8b00670

80. Barbosa Nuno A., Wójcik Kamil, Wieczorek Robert, Grzeszczuk Maria
New approach to electrochemical reactivity of aniline tetramer through a combined view of DFT and CV descriptors.
Synthetic Metals, 2018, 242, 8-16
IF: 2.87
10.1016/j.synthmet.2018.04.006

81. Lesiów Monika Katarzyna, Komarnicka Urszula K., Stokowa-Sołtys Kamila, Rolka Krzysztof, Łęgowska Anna, Ptaszyńska Natalia, Wieczorek Robert, Kyzioł Agnieszka, Jeżowska-Bojczuk Małgorzata
Relationship between copper(II) complexes with FomA adhesin fragments of F. nucleatum and colorectal cancer. Coordination pattern and ability to promote ROS production.
Dalton Transactions, 2018, 47, 5445-5458
IF: 4.052
10.1039/c7dt04103a

82. Kocięcka Paulina, Czeluśniak Izabela, Panek Jarosław, Szymańska-Buzar Teresa
Unusual product formation in tungsten(0)-catalysed reactions of propargylic alcohols and secondary amines : hydroamination and the construction of the tetrahydrofuran ring.
Molecular Catalysis, 2018, 455, 23-31
IF: 2.938
10.1016/j.mcat.2018.05.022

83. Kamińska Karolina, Wojaczyńska Elżbieta, Santi Claudio, Sancineto Luca, Pensa Marianna Francesca, Kochel Andrzej, Wieczorek Robert, Wojaczyński Jacek, Slupski Gauthier
An enantiopure diselenide based on a chiral bicyclic backbone—synthesis and configuration assignment.
Tetrahedron-Asymmetry, 2017, 28, 1367-1372
10.1016/j.tetasy.2017.08.008

84. Walencik Paulina K., Stokowa-Sołtys Kamila, Wieczorek Robert, Komarnicka Urszula K., Kyzioł Agnieszka, Jeżowska-Bojczuk Małgorzata
Impact of the Cu(II) ions on the chemical and biological properties of goserelin : coordination pattern, DNA degradation, oxidative reactivity and in vitro cytotoxicity.
Journal of Inorganic Biochemistry, 2017, 175, 167-178
IF: 3.063
10.1016/j.jinorgbio.2017.07.016

85. Panek Anna, Świzdor Alina, Milecka-Tronina Natalia, Panek Jarosław J.
Insight into the orientational versatility of steroid substrates - a docking and molecular dynamics study of a steroid receptor and steroid monooxygenase.
Journal of Molecular Modeling, 2017, 23, 96/1-96/8
IF: 1.507
10.1007/s00894-017-3278-z

86. Laine Marina, Barbosa Nuno A., Kochel Andrzej, Osiecka B. J., Szewczyk G., Sarna T., Ziółkowski Piotr, Wieczorek Robert, Filarowski Aleksander
Synthesis, structural, spectroscopic, computational and cytotoxic studies of BODIPY dyes.
Sensors and Actuators B-Chemical, 2017, 238, 548-555
IF: 5.667
10.1016/j.snb.2016.07.103

87. Laine Marina, Barbosa Nuno A., Wieczorek Robert, Melnikov Mikhail Ya., Filarowski Aleksander
Calculations of BODIPY dyes in the ground and excited states using the M06-2X and PBE0 functionals.
Journal of Molecular Modeling, 2016, 22, 260/1-260/7
IF: 1.425
10.1007/s00894-016-3108-8

88. Kieryk P., Janczak Jan, Panek Jarosław, Miklitz Marcin, Lisowski Jerzy
Chiral 2 + 3 keto-enamine pseudocyclophanes derived from 1,3,5-triformylphloroglucinol.
Organic Letters, 2016, 18, 12-15
IF: 6.579
10.1021/acs.orglett.5b02989

89. 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

90. Barbosa Nuno A., Grzeszczuk Maria, Kussayeva Akmaral, Wieczorek Robert
DFT estimates of water environment impact on the reversible 2e^- + 2H⁺ oxidation of aniline tetramer.
Computational and Theoretical Chemistry, 2016, 1086, 7-11
IF: 1.549
10.1016/j.comptc.2016.04.007

91. Gregoliński Janusz, Ślepokura Katarzyna, Paćkowski Tomasz, Panek Jarosław, Stefanowicz Piotr, Lisowski Jerzy
From 2+2 to 8+8 condensation products of diamine and dialdehyde : giant container-shaped macrocycles for multiple anion binding.
Journal of Organic Chemistry, 2016, 81, 5285-5294
IF: 4.849
10.1021/acs.joc.6b00531

92. 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

93. Stokowa-Sołtys Kamila, Barbosa Nuno A., Kasprowicz Aleksandra, Wieczorek Robert, Gaggelli Nicola, Gaggelli Elena, Valensin Gianni, Wrzesiński Jan, Ciesiołka Jerzy, Kuliński Tadeusz, Szczepanik Wojciech, Jeżowska-Bojczuk Małgorzata
Studies of viomycin, an anti-tuberculosis antibiotic: copper(II) coordination, DNA degradation and the impact on delta ribozyme cleavage activity.
Dalton Transactions, 2016, 45, 8645-8658
IF: 4.029
10.1039/C6DT00245E

94. Kamińska Karolina, Wojaczyńska Elżbieta, Wietrzyk Joanna, Turlej Eliza, Błażejczyk Agnieszka, Wieczorek Robert
Synthesis, structure and antiproliferative activity of chiral polyamines based on a 2-azanorbornane skeleton.
Tetrahedron-Asymmetry, 2016, 27, 753-758
IF: 2.126
10.1016/j.tetasy.2016.06.009

95. Brasili Davide, Wątły Joanna, Simonovsky Eyal, Guerrini Remo, Barbosa Nuno A., Wieczorek Robert, Remelli Maurizio, Kozłowski Henryk, Miller Yifat
The unusual metal ion binding ability of histidyl tags and their mutated derivatives.
Dalton Transactions, 2016, 45, 5629-5639
IF: 4.029
10.1039/C5DT04747A

96. Wojaczyńska Elżbieta, Skarżewski Jacek, Sidorowicz Łukasz, Wieczorek Robert, Wojaczyński Jacek
Zinc complexes formed by 2,2'-bipyridine and 1,10-phenanthroline moieties combined with 2-azanorbornane : modular chiral catalysts for aldol reactions.
New Journal of Chemistry, 2016, 40, 9795-9805
IF: 3.269
10.1039/c6nj02251k

97. 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

98. Wątły Joanna, Simonovsky Eyal, Barbosa Nuno A., Spodzieja Marta, Wieczorek Robert, Rodziewicz-Motowidlo Sylwia, Miller Yifat, Kozłowski Henryk
African viper poly-his tag peptide fragment efficiently binds metal ions and is folded into an α-helical structure.
Inorganic Chemistry, 2015, 54, 7692-7702
IF: 4.82
10.1021/acs.inorgchem.5b01029

99. 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

100. 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

101. 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

102. Panek Jarosław J.
Symmetry-adapted perturbation theory study on interactions between small cycloalkanes.
Chemical Physics Letters, 2015, 640, 147-152
IF: 1.86
10.1016/j.cplett.2015.10.026

103. Barbosa Nuno A., Grzeszczuk Maria, Wieczorek Robert
Tetramer model of leukoemeraldine–emeraldine electrochemistry in the presence of trihalogenoacetic acids : DFT approach.
Journal of Physical Chemistry A, 2015, 119, 418-427
IF: 2.883
10.1021/jp511447p

104. Olszewski Tomasz K., Wojaczyńska Elżbieta, Wieczorek Robert, Bąkowicz Julia
α-Hydroxyphosphonic acid derivatives of 2-azanorbornane: synthesis, DFT calculations, and crystal structure analysis.
Tetrahedron-Asymmetry, 2015, 26, 601-607
IF: 2.108
10.1016/j.tetasy.2015.04.012

105. 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

106. Wątły Joanna, Simonovsky Eyal, Wieczorek Robert, Barbosa Nuno A., Miller Yifat, Kozłowski Henryk
Insight into the coordination and the binding sites of Cu²⁺ by the histidyl-6-tag using experimental and computational tools.
Inorganic Chemistry, 2014, 53, 6675-6683
IF: 4.762
10.1021/ic500387u

107. Pontecchiani Fabio, Simonovsky Eyal, Wieczorek Robert, Barbosa Nuno A., Rowińska-Żyrek Magdalena, Potocki Sławomir, Remelli Maurizio, Miller Yifat, Kozłowski Henryk
The unusual binding mechanism of Cu(II) ions to the poly-histidyl domain of a peptide found in the venom of an African viper.
Dalton Transactions, 2014, 43, 16680-16689
IF: 4.197
10.1039/c4dt02257b

108. Beć Krzysztof B., Wieczorek Robert, Łydżba-Kopczyńska Barbara, Hawranek Jerzy P.
Analysis of infrared spectra of neat liquid N-methylpyrrole.
Acta Physica Polonica A, 2013, 124, 115-121
IF: 0.604
10.12693/APhysPolA.124.115

109. Rudowska Magdalena, Wieczorek Robert, Kluczyk Alicja, Stefanowicz Piotr, Szewczuk Zbigniew
Gas-phase fragmentation of oligoproline peptide ions lacking easily mobilizable protons.
Journal of the American Society for Mass Spectrometry, 2013, 24, 846-856
IF: 3.193
10.1007/s13361-013-0585-1

110. 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

111. 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

112. 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

113. Chiera Nadine M., Rowińska-Żyrek Magdalena, Wieczorek Robert, Guerrini Remo, Witkowska Danuta, Remelli Maurizio, Kozłowski Henryk
Unexpected impact of the number of glutamine residues on metal complex stability.
Metallomics, 2013, 5, 214-221
IF: 3.978
10.1039/c3mt20166j

114. Kobko Nadya, Marianski M., Asensio A., Wieczorek Robert, Dannenberg J. J.
A density functional theory evaluation of hydrophobic solvation: Ne, Ar and Kr in a 50-water cluster - implications for the hydrophobic effect.
Computational and Theoretical Chemistry, 2012, 990, 214-221
IF: 1.139
10.1016/j.comptc.2011.11.022

115. 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

116. 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

117. 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

118. 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

119. 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

120. Gregoliński Janusz, Wieczorek Robert, Lisowski Jerzy
Formation of chiral heteronuclear Lu^III assemblies by ion pair formation.
European Journal of Inorganic Chemistry, 2011, 3717-3725
IF: 3.049
10.1002/ejic.201100140

121. Zierkiewicz Wiktor, Wieczorek Robert, Hobza Pavel, Michalska D.
Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study.
Physical Chemistry Chemical Physics, 2011, 13, 5105-5113
IF: 3.573
10.1039/C0CP02085K

122. 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

123. 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

124. 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

125. 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

126. 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

127. 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

128. 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

129. 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

130. 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)

131. Wieczorek Robert, Durlak Piotr, Latajka Zdzisław
DFT studies of H₃N–X (X= Li, Na, K, Rb, Cs and Fr) systems.
Polish Journal of Chemistry, 2009, 83, 761-769
IF: 0.523

132. 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

133. Dopieralski Przemysław, Panek Jarosław, Latajka Zdzisław
First-principles investigation of isomerization by proton transfer in β-fumaric acid crystal.
Journal of Chemical Physics, 2009, 130, 164517/1-164517/9
IF: 3.093
10.1063/1.3124192

134. 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

135. 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

136. 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

137. 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

138. Dopieralski Przemysław, Panek Jarosław, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride.
Journal of Molecular Structure-Theochem, 2009, 916, 72-75
IF: 1.216
10.1016/j.theochem.2009.09.008

139. Wieczorek Robert, Dannenberg J. J.
Amide I vibrational frequencies of α-helical peptides based upon ONIOM and density functional theory (DFT) studies.
Journal of Physical Chemistry B, 2008, 112, 1320-1328
IF: 4.189
10.1021/jp077527j

140. Pordea A., Creus M., Panek Jarosław, Duboc C., Mathis D., Novic M., Ward T. R.
Artificial metalloenzyme for enantioselective sulfoxidation based on vanadyl-loaded streptavidin.
Journal of the American Chemical Society, 2008, 130, 8085-8088
IF: 8.091
10.1021/ja8017219

141. 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

142. 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

143. 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

144. Stare J., Panek Jarosław, Eckert J., Grdadolnik J., Mavri J., Hadži D.
Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acidN-oxide. A new computational approach and infrared, Raman and INS study.
Journal of Physical Chemistry A, 2008, 112, 1576-1586
IF: 2.871
10.1021/jp077107u

145. 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

146. 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

147. 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

148. Panek Jarosław, Berski Sławomir
Symmetry-adapted perturbation theory study of dimers and water complexes of hypohalous acids HOF, HOCl and HOBr.
Chemical Physics Letters, 2008, 467, 41-45
IF: 2.169
10.1016/j.cplett.2008.11.014

149. 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

150. 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

151. Salvador Pedro, Wieczorek Robert, Dannenberg J. J.
Direct calculation oftranshydrogen-bond ¹³C-¹⁵N 3-bond J-couplings in entire polyalanine α-helices. A density functional theory study.
Journal of Physical Chemistry B, 2007, 111, 2398-2403
IF: 4.086
10.1021/jp064706c

152. 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

153. 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

154. 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+

155. 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

156. Coussan Stéphane, Ferro Y., Trivella A., Rajzmann M., Roubin P., Wieczorek Robert, Manca C., Piecuch Piotr, Kowalski K., Włoch M., Kucharski S. A., Musiał M.
Experimental and theoretical UV characterizations of acetylacetone and its isomers.
Journal of Physical Chemistry A, 2006, 110, 3920-3926
IF: 3.047
10.1021/jp056834r

157. Panek Jarosław J., Wawrzyniak Piotr Kornel, Latajka Zdzisław, Lundell Jan
Interaction energy decomposition analysis for formic acid complexes with argon and krypton atoms.
Chemical Physics Letters, 2006, 417, 100-104
IF: 2.462
10.1016/j.cplett.2005.09.129

158. 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

159. Moc Jerzy, Panek Jarosław
The hypervalent PF₄H species dimer: a system with double blue-shifted P–H···F hydrogen bonding?.
Chemical Physics Letters, 2006, 419, 362-368
IF: 2.462
10.1016/j.cplett.2005.12.014

160. Wieczorek Robert, Dannenberg J. J.
Enthalpies of hydrogen-bonds in α-helical peptides. An ONIOM DFT/AM1 study.
Journal of the American Chemical Society, 2005, 127, 14534-14535
IF: 7.419
10.1021/ja053839t

161. 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

162. 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

163. Moc Jerzy, Bober Karolina, Panek Jarosław
On the existence of MH_n species with M=Al., Ga and n= 4,5,6. Computational study of structures, stabilities and bonding.
Journal of Molecular Modeling, 2005, 12, 93-100
IF: 1.67
10.1007/s00894-005-0010-1

164. Wawrzyniak Piotr Kornel, Panek Jarosław, Lundell Jan, Latajka Zdzisław
On the nature of bonding in HCOOH...Ar and HCOOH...Kr complexes.
Journal of Molecular Modeling, 2005, 11, 351-361
IF: 1.67
10.1007/s00894-005-0267-4

165. 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

166. Wieczorek Robert, Dannenberg J. J.
The energetic and structural effects of single amino acid substitutions upon capped α-helical peptides containing 17 amino acid residues. An ONIOM DFT/AM1 study.
Journal of the American Chemical Society, 2005, 127, 17216-17223
IF: 7.419
10.1021/ja052689j

167. Stępień Marcin, Latos-Grażyński Lechosław, Szterenberg Ludmiła, Panek Jarosław, Latajka Zdzisław
Cadmium(II) and nickel(II) complexes of benziporphyrins. A study of weak intramolecular metal-arene interactions.
Journal of the American Chemical Society, 2004, 126, 4566-4580
IF: 6.903
10.1021/ja039384u

168. Salvador Pedro, Kobko Nadya, Wieczorek Robert, Dannenberg J. J.
Calculation of trans-hydrogen-bond ¹³C-¹⁵N three-bond and other scalar J-couplings in cooperative peptide models. A density functional theory study.
Journal of the American Chemical Society, 2004, 126, 14190-14197
IF: 6.903
10.1021/ja0492788

169. Wieczorek Robert, Dannenberg J. J.
Comparison of fully optimized α-and 3₁₀-helices with extended β-strands. An ONIOM density functional theory study.
Journal of the American Chemical Society, 2004, 126, 14198-14205
IF: 6.903
10.1021/ja048831i

170. 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

171. 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

172. Berski Sławomir, Ciunik Zbigniew, Drabent Krzysztof, Latajka Zdzisław, Panek Jarosław
Dominant role of C-Br···N halogen bond in molecular self-organization. Crystallographic and quantum-chemical study of Schiff-base-containing triazoles.
Journal of Physical Chemistry B, 2004, 108, 12327-12332
IF: 3.834
10.1021/jp049742v

173. Panek Jarosław, Stare J., Hadži D.
From the isolated molecule to oligomers and the crystal: a static density functional theory and Car-Parrinello molecular dynamics study of geometry and potential function modifications of the short intramolecular hydrogen bond in picolinic acid N-oxide.
Journal of Physical Chemistry A, 2004, 108, 7417-7423
IF: 2.639
10.1021/jp0495794

174. Wieczorek Robert, Haskamp L., Dannenberg J. J.
Molecular orbital calculations of water clusters on counterpoise-corrected potential energy surfaces.,.
Journal of Physical Chemistry A, 2004, 108, 6713-6723
IF: 2.639
10.1021/jp037372p

175. 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

176. Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław, Lundell Jan
Theoretical study of the complex between formic acid and argon
Journal of Molecular Structure, 2004, 691, 115-122
IF: 1.2
10.1016/j.molstruc.2003.12.011

177. Wawrzyniak Piotr Kornel, Panek Jarosław, Latajka Zdzisław, Lundell Jan
Theoretical study of the complex between formic acid and argon.
Journal of Molecular Structure, 2004, 704, 297-304
IF: 1.2
10.1016/j.molstruc.2004.07.028

178. Wieczorek Robert, Dannenberg J. J.
α-helical peptides are not protonated at the N-terminus in the gas phase.
Journal of the American Chemical Society, 2004, 126, 12278-12279
IF: 6.903
10.1021/ja048033s

179. 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

180. 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

181. Wieczorek Robert, Dannenberg J. J.
H-bonding cooperativity and energetics of α-helix formation of five 17-amino acid peptides.
Journal of the American Chemical Society, 2003, 125, 8124-8129
IF: 6.516
10.1021/ja035302q

182. Wieczorek Robert, Dannenberg J. J.
Hydrogen-bond cooperativity, vibrational coupling, and dependence of helix stability on changes in amino acid sequence in small 3₁₀-helical peptides. A density functional theory study.
Journal of the American Chemical Society, 2003, 125, 14065-14071
IF: 6.516
10.1021/ja034034t

183. Wierzejewska Maria, Wieczorek Robert
Infrared matrix isolation and ab initio studies on isothiocyanic acid HNCS and its complexes with nitrogen and xenon.
Chemical Physics, 2003, 287, 169-181
IF: 2.07
10.1016/S0301-0104(02)00989-8

184. 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

185. 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

186. D'Amelio N., Gaggelli Elena, Gajewska A., Kochman H., Kochman K., Kozłowski Henryk, Latajka Zdzisław, Młynarz Piotr, Panek Jarosław, Valensin Gianni
Structural analysis and sheep pituitary receptor binding of GnRH and its complexes with metal ions.
Journal of Inorganic Biochemistry, 2003, 94, 28-35
IF: 2.343
10.1016/S0162-0134(02)00630-X

187. 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

188. 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

189. Panek Jarosław, Latajka Zdzisław, Lundell Jan
DFT calculations of HRgX (Rg = rare gas; X = halogen) molecules.
Physical Chemistry Chemical Physics, 2002, 4, 2504-2510
IF: 1.838
10.1039/b109578a

190. Olbert-Majkut Adriana, Mielke Zofia, Wieczorek Robert, Latajka Zdzisław
Matrix isolation and DFT studies of nitrous acid complexes with nitrogen dioxide.
International Journal of Quantum Chemistry, 2002, 90, 1140-1150
IF: 1.514
10.1002/qua.10228

191. 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

192. Moc Jerzy, Panek Jarosław
Electron affinity of the monobromomethyl radical and vibrational spectrum of its anion: a combined coupled-cluster and density functional study.
Chemical Physics Letters, 2001, 345, 497-504
IF: 2.364
10.1016/S0009-2614(01)00908-3

193. Lundell Jan, Panek Jarosław, Latajka Zdzisław
Quantum chemical calculations on FXeSiF.
Chemical Physics Letters, 2001, 348, 147-154
IF: 2.364
10.1016/S0009-2614(01)01099-5

194. 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

195. 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

196. Gumienna-Kontecka Elżbieta, Berthon Guy, Fritsky Igor O., Wieczorek Robert, Latajka Zdzisław, Kozłowski Henryk
2-(Hydroxyimino)propanohydroxamic acid, a new effective ligand for aluminium.
Journal of the Chemical Society, Dalton Transactions, 2000, 4201-4208
IF: 2.502
10.1039/B004432F

197. Panek Jarosław, Latajka Zdzisław
A theoretical study of NO₂ complexes with aluminium and gallium based on topological analysis of electron density and electron localization function.
Chemical Physics Letters, 2000, 332, 617-623
IF: 2.364
10.1016/S0009-2614(00)01295-1

198. Kozłowski Mirosław, Kołodziej Hubert A., Wieczorek Robert, Latajka Zdzisław, Jurlewicz A.
Dielectric relaxation and molecular conformational energy of some arylazo benzothiazine derivatives.
Chemical Physics, 2000, 252, 289-299
IF: 1.908
10.1016/S0301-0104(99)00364-X

199. Młynarz Piotr, Gaggelli Nicola, Panek Jarosław, Stasiak M., Valensin Gianni, Kowalik-Jankowska Teresa, Leplawy Mirosław T., Latajka Zdzisław, Kozłowski Henryk
How the α-hydroxymethylserine residue stabilizes oligopeptide complexes with nickel(II) and copper(II) ions.
Journal of the Chemical Society, Dalton Transactions, 2000, 7, 1033-1038
IF: 2.502
10.1039/a909354k

200. Mielke Zofia, Latajka Zdzisław, Olbert-Majkut Adriana, Wieczorek Robert
Matrix infrared spectra and ab initio calculations of the nitrous acid complexes with nitrogen monoxide.
Journal of Physical Chemistry A, 2000, 104, 3764-3769
IF: 2.754
10.1021/jp993889i

201. Latajka Zdzisław, Mielke Zofia, Olbert-Majkut Adriana, Wieczorek Robert, Tokhadze K. G.
Ab initio calculations and matrix infrared spectra ot the nitrous acid complexes with HF and HCl.
Physical Chemistry Chemical Physics, 1999, 1, 2441-2448
IF: 1.848
10.1039/A900704K

202. Silvi Bernard, Wieczorek Robert, Latajka Zdzisław, Alikhani M. E., Dkhissi A., Bouteiller Y.
Critical analysis of the calculated frequency shifts of hydrogen-bonded complexes.
Journal of Chemical Physics, 1999, 111, 6671-6678
IF: 3.289
10.1063/1.480038

203. Wieczorek Robert, Latajka Zdzisław, Lundell Jan
Quantum chemical study of the bimolecular complex of HONO.
Journal of Physical Chemistry A, 1999, 103, 6234-6239
IF: 2.695
10.1021/jp990610p

204. Panek Jarosław, Latajka Zdzisław
Theoretical study of aluminum and gallium atom complexes with CO₂, CS₂ and COS.
Journal of Physical Chemistry A, 1999, 103, 6845-6850
IF: 2.695
10.1021/jp9912657

205. Wierzejewska Maria, Mielke Zofia, Wieczorek Robert, Latajka Zdzisław
Infrared matrix isolation and theoretical studies of SO₂-HNO₃ and SO₂-HONO systems.
Chemical Physics, 1998, 228, 17-29
IF: 1.707
10.1016/S0301-0104(97)00336-4