Publications
- QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH2020 | Faculty of Mathematics and Physics
- Tryptophan to Tryptophan Hole Hopping in an Azurin Construct2023 | Faculty of Mathematics and Physics
- A new grand-canonical potential for the thermodynamic description of the reactions in solutions with constant pH2021 | Faculty of Mathematics and Physics, Central Library of Charles University
- Redox Potentials for Tetraplatin, Satraplatin, Its Derivatives, and Ascorbic Acid: A Computational Study2018 | Faculty of Mathematics and Physics
- Interactions of Ascorbic Acid with Satraplatin and its trans Analog JM576: DFT Computational Study2018 | Faculty of Mathematics and Physics
- Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants2018 | Faculty of Mathematics and Physics
- The Influence of the Metal Cations and Microhydration on the Reaction Trajectory of the N3 <-> O2 Thymine Proton Transfer: Quantum Mechanical Study2017 | Faculty of Mathematics and Physics
- Study on electronic properties, thermodynamic and kinetic parameters of the selected platinum(II) derivatives interacting with guanine2017 | Faculty of Mathematics and Physics
- Side Reactions with an Equilibrium Constraint: Detailed Mechanism of the Substitution Reaction of Tetraplatin with dGMP as a Starting Step of the Platinum(IV) Reduction Process2017 | Faculty of Mathematics and Physics
- Reduction Process of Tetraplatin in the Presence of Deoxyguanosine Monophosphate (dGMP): A Computational DFT Study2016 | Faculty of Mathematics and Physics
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