Aneta Jezierska

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 40

Top Topics

Molecular Docking

Crystal Structure

Perovskite Solar Cells

Top Venues

International journal of molecular sciences

Molecules (Basel, Switzerland)

Pharmaceuticals (Basel, Switzerland)

Journal of molecular modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Kinga Jóźwiak, Aneta Jezierska, Jarosław Jan Panek, Andrzej Kochel, Barbara I Łydżba-Kopczyńska, Aleksander Filarowski
Very Strong Hydrogen Bond in Nitrophthalic Cocrystals. Molecules (Basel, Switzerland) 29 (15) (2024)
Kinga Jóźwiak, Aneta Jezierska, Jarosław Jan Panek, Andrzej Kochel, Barbara I Łydżba-Kopczyńska, Aleksander Filarowski
Very Strong Hydrogen Bond in Nitrophthalic Cocrystals. Molecules (Basel, Switzerland) 29 (15) (2024)
Beata Kizior, Mariusz Michalczyk, Jarosław Jan Panek, Wiktor Zierkiewicz, Aneta Jezierska
Unraveling the Nature of Hydrogen Bonds of "Proton Sponges" Based on Car-Parrinello and Metadynamics Approaches. International journal of molecular sciences 24 (2) (2023)
Mariusz Michalczyk, Kamil Wojtkowiak, Jarosław Jan Panek, Aneta Jezierska, Wiktor Zierkiewicz
Static and Dynamical Quantum Studies of CX 3 -AlX 2 and CSiX 3 -BX 2 (X = F, Cl, Br) Complexes with Hydrocyanic Acid: Unusual Behavior of Strong π-Hole at Triel Center. International journal of molecular sciences 24 (9) (2023)
Kamil Wojtkowiak, Aneta Jezierska
Role of Non-Covalent Interactions in Carbonic Anhydrase I-Topiramate Complex Based on QM/MM Approach. Pharmaceuticals (Basel, Switzerland) 16 (4) (2023)
Agata Kołodziejczyk, Mikołaj Błaziak, Kinga Podgórniak, Aneta Jezierska, Kacper Błaziak
The Malaprade reaction mechanism for ethylene glycol oxidation by periodic acid based on density functional theory (DFT). Physical chemistry chemical physics : PCCP (2023)
Kinga Jóźwiak, Aneta Jezierska, Jarosław Jan Panek, Andrzej Kochel, Aleksander Filarowski
Inter- vs. Intra-Molecular Hydrogen Bond in Complexes of Nitrophthalic Acids with Pyridine. International journal of molecular sciences 24 (6) (2023)
Mariusz Michalczyk, Kamil Wojtkowiak, Jarosław Jan Panek, Aneta Jezierska, Wiktor Zierkiewicz
Static and Dynamical Quantum Studies of CX 3 -AlX 2 and CSiX 3 -BX 2 (X = F, Cl, Br) Complexes with Hydrocyanic Acid: Unusual Behavior of Strong π-Hole at Triel Center. International journal of molecular sciences 24 (9) (2023)
Kinga Jóźwiak, Aneta Jezierska, Jarosław Jan Panek, Andrzej Kochel, Aleksander Filarowski
Inter- vs. Intra-Molecular Hydrogen Bond in Complexes of Nitrophthalic Acids with Pyridine. International journal of molecular sciences 24 (6) (2023)
Kamil Wojtkowiak, Aneta Jezierska
Role of Non-Covalent Interactions in Carbonic Anhydrase I-Topiramate Complex Based on QM/MM Approach. Pharmaceuticals (Basel, Switzerland) 16 (4) (2023)
Kinga Jóźwiak, Aneta Jezierska, Jarosław Jan Panek, Andrzej Kochel, Aleksander Filarowski
Inter- vs. Intra-Molecular Hydrogen Bond in Complexes of Nitrophthalic Acids with Pyridine. International journal of molecular sciences 24 (6) (2023)
Beata Kizior, Aneta Jezierska, Bartłomiej M Szyja
Partial Methane Oxidation to Methanol on Ru-Porphyrins - on the Role of Non-Innocent Ligands and Spin Crossover. Chemphyschem : a European journal of chemical physics and physical chemistry (2023)
Beata Kizior, Mariusz Michalczyk, Jarosław Jan Panek, Wiktor Zierkiewicz, Aneta Jezierska
Unraveling the Nature of Hydrogen Bonds of "Proton Sponges" Based on Car-Parrinello and Metadynamics Approaches. International journal of molecular sciences 24 (2) (2023)
Kamil Wojtkowiak, Aneta Jezierska
Role of Non-Covalent Interactions in Carbonic Anhydrase I-Topiramate Complex Based on QM/MM Approach. Pharmaceuticals (Basel, Switzerland) 16 (4) (2023)
Kamil Wojtkowiak, Aneta Jezierska
Role of Non-Covalent Interactions in Carbonic Anhydrase I-Topiramate Complex Based on QM/MM Approach. Pharmaceuticals (Basel, Switzerland) 16 (4) (2023)
Grzegorz Vetter, Agata Białońska, Aneta Jezierska, Jarosław Jan Panek, Ewa Pacholska-Dudziak
Heterobimetallic 21,23-dimetallaporphyrin: activation of metal-metal interactions within the porphyrinoid macrocycle. Chemical communications (Cambridge, England) (2023)
Beata Kizior, Mariusz Michalczyk, Jarosław Jan Panek, Wiktor Zierkiewicz, Aneta Jezierska
Unraveling the Nature of Hydrogen Bonds of "Proton Sponges" Based on Car-Parrinello and Metadynamics Approaches. International journal of molecular sciences 24 (2) (2023)
Kamil Wojtkowiak, Aneta Jezierska
Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives. Molecules (Basel, Switzerland) 27 (24) (2022)
Piotr Świątek, Teresa Glomb, Agnieszka Dobosz, Małgorzata Strzelecka, Kamil Wojtkowiak, Aneta Jezierska, Jarosław Jan Panek, Małgorzata Świątek, Małgorzata Strzelecka
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 23 (1) (2022)
Kamil Wojtkowiak, Aneta Jezierska, Jarosław Jan Panek
Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives. Molecules (Basel, Switzerland) 27 (7) (2022)
Małgorzata Strzelecka, Teresa Glomb, Małgorzata Drąg-Zalesińska, Julita Kulbacka, Anna Szewczyk, Jolanta Saczko, Paulina Kasperkiewicz-Wasilewska, Nina Rembiałkowska, Kamil Wojtkowiak, Aneta Jezierska, Piotr Świątek
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 23 (19) (2022)
Kamil Wojtkowiak, Aneta Jezierska
Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives. Molecules (Basel, Switzerland) 27 (24) (2022)
Michał Pocheć, Katarzyna M Krupka, Jarosław Jan Panek, Kazimierz Orzechowski, Aneta Jezierska
Intermolecular Interactions and Spectroscopic Signatures of the Hydrogen-Bonded System-n-Octanol in Experimental and Theoretical Studies. Molecules (Basel, Switzerland) 27 (4) (2022)
Michał Pocheć, Katarzyna M Krupka, Jarosław Jan Panek, Kazimierz Orzechowski, Aneta Jezierska
Inside out Approach to Rotator State in Hydrogen-Bonded System-Experimental and Theoretical Cross-Examination in n-Octanol. International journal of molecular sciences 23 (4) (2022)
Kamil Wojtkowiak, Aneta Jezierska
Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives. Molecules (Basel, Switzerland) 27 (24) (2022)
Katarzyna M Krupka, Michał Pocheć, Jarosław Jan Panek, Aneta Jezierska
Comprehensive Empirical Model of Substitution-Influence on Hydrogen Bonding in Aromatic Schiff Bases. International journal of molecular sciences 23 (20) (2022)
Kamil Wojtkowiak, Mariusz Michalczyk, Wiktor Zierkiewicz, Aneta Jezierska, Jarosław Jan Panek
Chalcogen Bond as a Factor Stabilizing Ligand Conformation in the Binding Pocket of Carbonic Anhydrase IX Receptor Mimic. International journal of molecular sciences 23 (22) (2022)
Kamil Wojtkowiak, Aneta Jezierska
Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives. Molecules (Basel, Switzerland) 27 (24) (2022)
Aneta Jezierska, Jarosław Jan Panek, Kacper Błaziak, Kamil Raczyński, Aleksander Koll
Exploring Intra- and Intermolecular Interactions in Selected N -Oxides-The Role of Hydrogen Bonds. Molecules (Basel, Switzerland) 27 (3) (2022)
Beata Szefler, Przemysław Czeleń, Kamil Wojtkowiak, Aneta Jezierska
Affinities to Oxaliplatin: Vitamins from B Group vs. Nucleobases. International journal of molecular sciences 23 (18) (2022)
Jarosław Jan Panek, Joanna Zasada, Bartłomiej M Szyja, Beata Kizior, Aneta Jezierska
Sensitivity of Intra- and Intermolecular Interactions of Benzo[h]quinoline from Car-Parrinello Molecular Dynamics and Electronic Structure Inspection. International journal of molecular sciences 22 (10) (2021)
Kamil Raczyński, Andrzej Pihut, Jarosław Jan Panek, Aneta Jezierska
Competition of Intra- and Intermolecular Forces in Anthraquinone and Its Selected Derivatives. Molecules (Basel, Switzerland) 26 (11) (2021)
Michał Pocheć, Karol Kułacz, Jarosław Jan Panek, Aneta Jezierska
How Substitution Combines with Non-Covalent Interactions to Modulate 1,4-Naphthoquinone and Its Derivatives Molecular Features-Multifactor Studies. International journal of molecular sciences 22 (19) (2021)
Karol Kułacz, Michał Pocheć, Aneta Jezierska, Jarosław Jan Panek
Naphthazarin Derivatives in the Light of Intra- and Intermolecular Forces. Molecules (Basel, Switzerland) 26 (18) (2021)
Aneta Jezierska, Kacper Błaziak, Sebastian Klahm, Arne Lüchow, Jarosław Jan Panek
Non-Covalent Forces in Naphthazarin-Cooperativity or Competition in the Light of Theoretical Approaches. International journal of molecular sciences 22 (15) (2021)
Kinga Jóźwiak, Aneta Jezierska, Jarosław Jan Panek, Eugene A Goremychkin, Peter M Tolstoy, Ilya G Shenderovich, Aleksander Filarowski
Inter- vs. Intramolecular Hydrogen Bond Patterns and Proton Dynamics in Nitrophthalic Acid Associates. Molecules (Basel, Switzerland) 25 (20) (2020)
Aneta Jezierska, Jarosław Jan Panek
Theoretical study of intramolecular hydrogen bond in selected symmetric "proton sponges" on the basis of DFT and CPMD methods. Journal of molecular modeling 26 (2) (2020)
Aneta Jezierska, Jarosław Jan Panek
Cooperativity of hydrogen bonding network in microsolvated biotin, the ligand of avidin class proteins. Journal of molecular modeling 25 (12) (2019)
Rodrigo F M de Almeida, Filipa C Santos, Krzysztof Marycz, Michalina Alicka, Anna Krasowska, Jakub Suchodolski, Jarosław Jan Panek, Aneta Jezierska, Radosław Starosta
New diphenylphosphane derivatives of ketoconazole are promising antifungal agents. Scientific reports 9 (1) (2019)
Jarosław J Panek, Aneta Jezierska
N-oxide Derivatives: Car-Parrinello Molecular Dynamics and Electron Localization Function Study on Intramolecular Hydrogen Bonds. The journal of physical chemistry. A 122 (32) (2018)