Molecular Modeling Study of Leflunomide and Its Active Metabolite Analogues. - Jaroslaw J. Panek; Aneta Jezierska; Krzysztof Mierzwicki; Zdzislaw Latajka; Aleksander Koll (J. Chem. Inf. Model., 2005)

Kohonen Network Study of Aromatic Compounds Based on Electronic and Nonelectronic Structure Descriptors. - Jaroslaw J. Panek; Aneta Jezierska; Marjan Vracko (J. Chem. Inf. Model., 2005)

Molecular Properties Investigation of a Substituted Aromatic Mannich Base: Dynamic and Static Models. - Aneta Jezierska; Jaroslaw J. Panek; Aleksander Filarowski (J. Chem. Inf. Model., 2007)

Investigations of an O-H * * * S hydrogen bond via Car-Parrinello and path integral molecular dynamics. - Aneta Jezierska; Jaroslaw J. Panek (J. Comput. Chem., 2009)

Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin - an insight from molecular dynamics simulations with classical and ab initio force fields. - Jaroslaw J. Panek; Thomas R. Ward; Aneta Jezierska-Mazzarello; Marjana Novic (J. Comput. Aided Mol. Des., 2010)

Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines. - Agata Martyniak; Jaroslaw J. Panek; Aneta Jezierska-Mazzarello; Aleksander Filarowski (J. Comput. Aided Mol. Des., 2012)

Comparison of Resonance Assisted and Charge Assisted Effects in Strengthening of Hydrogen Bonds in Dipyrrins. - Jaroslaw J. Panek; Aneta Jezierska-Mazzarello; Pawel Lipkowski; Agata Martyniak; Aleksander Filarowski (J. Chem. Inf. Model., 2014)

"Zwitterionic Proton Sponge" Hydrogen Bonding Investigations on the Basis of Car-Parrinello Molecular Dynamics. - Aneta Jezierska; Jaroslaw J. Panek (J. Chem. Inf. Model., 2015)

Microsolvation of Histidine - A Theoretical Study of Intermolecular Interactions Based on AIM and SAPT Approaches. - Beata Kizior; Jaroslaw J. Panek; Aneta Jezierska (Symmetry, 2020)

Symmetry/Asymmetry of the NHN Hydrogen Bond in Protonated 1, 8-Bis(dimethylamino)naphthalene. - Patrycja Piekos; Aneta Jezierska; Jaroslaw J. Panek; Eugene A. Goremychkin; Alexander F. Pozharskii; Alexander S. Antonov; Peter M. Tolstoy; Aleksander Filarowski (Symmetry, 2020)

Structure-Property Relationship in Selected Naphtho- and Anthra-Quinone Derivatives on the Basis of Density Functional Theory and Car-Parrinello Molecular Dynamics. - Beata Kizior; Jaroslaw J. Panek; Bartlomiej M. Szyja; Aneta Jezierska (Symmetry, 2021)

Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches. - Kamil Wojtkowiak; Aneta Jezierska; Jaroslaw J. Panek (Symmetry, 2022)

Making and Breaking - Insight into the Symmetry of Salen Analogues. - Katarzyna M. Krupka; Sylwia Banach; Michal Pochec; Jaroslaw J. Panek; Aneta Jezierska (Symmetry, 2023)