- Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II2022 | Přírodovědecká fakulta, Ústřední knihovna
- The IR and Raman spectra of polyaniline adsorbed on the glass surface; comparison of experimental, empirical force field, and quantum chemical results2014 | Matematicko-fyzikální fakulta
- Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins2019 | Farmaceutická fakulta v Hradci Králové
- Preparation and separation of telechelic carborane-containing poly(ethylene glycols)2013 | Přírodovědecká fakulta
- Chalcogen Bonding in Protein-Ligand Complexes: PDB Survey and Quantum Mechanical Calculations2018 | Přírodovědecká fakulta
- On the Association of the Base Pairs on the Silica Surface Based on Free Energy Biased Molecular Dynamics Simulation and Quantum Mechanical Calculations2013 | Přírodovědecká fakulta
- IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors2016 | Přírodovědecká fakulta
- Ad-MD Method for Calculation of NMR Parameters Including the Effects due to MD2022 | Matematicko-fyzikální fakulta
- Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach2022 | Farmaceutická fakulta v Hradci Králové