Jaroslaw J. Panek

13 papers Journal 13

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