pl. Uniwersytecki
Zainteresowania
- molecular dynamics
- dft
- general chemistry
- non covalent interactions
- sapt
- chemical physics
- interaction energy
- aim
- qtaim
- nci
Dyscyplina naukowa
- nauki chemiczne
Najnowsze publikacje
- Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives
- 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
- Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives
- Effect of copper(II) ion binding by porin P1 precursor fragments from fusobacterium nucleatum on DNA degradation.
- Biological evaluation and molecular docking studies of novel 1,3,4-oxadiazole derivatives of 4,6-dimethyl-2-sulfanylpyridine-3-carboxamide.
- Role of Non-Covalent Interactions in Carbonic Anhydrase I—Topiramate Complex Based on QM/MM approach
- Affinities to Oxaliplatin: Vitamins from B Group vs. Nucleobases
- Chalcogen Bond as a Factor Stabilizing Ligand Conformation in the Binding Pocket of Carbonic Anhydrase IX Receptor Mimic
- Synthesis, Anticancer Activity and Molecular Docking Studies of Novel N-Mannich Bases of 1,3,4-Oxadiazole Based on 4,6-Dimethylpyridine Scaffold
- Fusobacterium nucleatum – Friend or foe?
- Polychlorinated Biphenyls Interactions with Water—Characterization Based on the Analysis of Non-Covalent Interactions and Energy Partitioning
- Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches
- Photochemical Transformations of Peptides Containing the N-(2-Selenoethyl)glycine Moiety
- Opis oddziaływań niekowalencyjnych wybranych penicylin metodami chemii obliczeniowej = Non-covalent interactions description of selected penicillins in the framework of computational chemistry
- Teoretyczne badania karboksylowych pochodnych chinolonu
- Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives
- Affinities to Oxaliplatin: Vitamins from B Group vs. Nucleobases
