Jaroslaw J. Panek

Publication Activity (10 Years)

Years Active: 2005-2023
Publications (10 Years): 5

Top Topics

Alternative Approaches

Symmetry Detection

Negative Effects

Top Venues

J. Chem. Inf. Model.

Publications

Katarzyna M. Krupka, Sylwia Banach, Michal Pochec, Jaroslaw J. Panek, Aneta Jezierska
Making and Breaking - Insight into the Symmetry of Salen Analogues. Symmetry 15 (2) (2023)
Kamil Wojtkowiak, Aneta Jezierska, Jaroslaw J. Panek
Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches. Symmetry 14 (4) (2022)
Beata Kizior, Jaroslaw J. Panek, Bartlomiej M. Szyja, Aneta Jezierska
Structure-Property Relationship in Selected Naphtho- and Anthra-Quinone Derivatives on the Basis of Density Functional Theory and Car-Parrinello Molecular Dynamics. Symmetry 13 (4) (2021)
Patrycja Piekos, Aneta Jezierska, Jaroslaw J. Panek, Eugene A. Goremychkin, Alexander F. Pozharskii, Alexander S. Antonov, Peter M. Tolstoy, Aleksander Filarowski
Symmetry/Asymmetry of the NHN Hydrogen Bond in Protonated 1, 8-Bis(dimethylamino)naphthalene. Symmetry 12 (11) (2020)
Beata Kizior, Jaroslaw J. Panek, Aneta Jezierska
Microsolvation of Histidine - A Theoretical Study of Intermolecular Interactions Based on AIM and SAPT Approaches. Symmetry 12 (7) (2020)
Aneta Jezierska, Jaroslaw J. Panek
"Zwitterionic Proton Sponge" Hydrogen Bonding Investigations on the Basis of Car-Parrinello Molecular Dynamics. J. Chem. Inf. Model. 55 (6) (2015)
Jaroslaw J. Panek, Aneta Jezierska-Mazzarello, Pawel Lipkowski, Agata Martyniak, Aleksander Filarowski
Comparison of Resonance Assisted and Charge Assisted Effects in Strengthening of Hydrogen Bonds in Dipyrrins. J. Chem. Inf. Model. 54 (1) (2014)
Agata Martyniak, Jaroslaw J. Panek, Aneta Jezierska-Mazzarello, Aleksander Filarowski
Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines. J. Comput. Aided Mol. Des. 26 (9) (2012)
Jaroslaw J. Panek, Thomas R. Ward, Aneta Jezierska-Mazzarello, Marjana Novic
Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin - an insight from molecular dynamics simulations with classical and ab initio force fields. J. Comput. Aided Mol. Des. 24 (9) (2010)
Aneta Jezierska, Jaroslaw J. Panek
Investigations of an O-H * * * S hydrogen bond via Car-Parrinello and path integral molecular dynamics. J. Comput. Chem. 30 (8) (2009)
Aneta Jezierska, Jaroslaw J. Panek, Aleksander Filarowski
Molecular Properties Investigation of a Substituted Aromatic Mannich Base: Dynamic and Static Models. J. Chem. Inf. Model. 47 (3) (2007)
Jaroslaw J. Panek, Aneta Jezierska, Marjan Vracko
Kohonen Network Study of Aromatic Compounds Based on Electronic and Nonelectronic Structure Descriptors. J. Chem. Inf. Model. 45 (2) (2005)
Jaroslaw J. Panek, Aneta Jezierska, Krzysztof Mierzwicki, Zdzislaw Latajka, Aleksander Koll
Molecular Modeling Study of Leflunomide and Its Active Metabolite Analogues. J. Chem. Inf. Model. 45 (1) (2005)