- Reaction mechanism of glutamate carboxypeptidase II revealed by mutagenesis, X-ray crystallography and computational methods2009 | Faculty of Science
- 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
- Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II2022 | Faculty of Science, Central Library of Charles University
- Analysis of secondary vocational school students' satisfaction with QMS2021 | Faculty of Education
- A double-QM/MM method for investigating donor-acceptor electron-transfer reactions in solution2014 | Faculty of Mathematics and Physics
- Binding of piano-stool Ru(II) complexes to DNA; QM/MM study2012 | Faculty of Mathematics and Physics
- Reaction Mechanism of Ru(II) Piano-Stool Complexes: Umbrella Sampling QM/MM MD Study2014 | 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
- An efficient IVD Lab backbone in the Hospital organization - EU IVD directive and its impact on QM systems2005 | First Faculty of Medicine
- A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophene2017 | Faculty of Science
- Computational Study of Organometallic Interactions with Models of DNA/RNA and Proteins Using Tools of Quantum Chemistry and Molecular MechanicsPublication without faculty affiliation
- Side Chain and Flexibility Contributions to the Raman Optical Activity Spectra of a Model Cyclic Hexapeptide2010 | Faculty of Mathematics and Physics
- The IR and Raman spectra of polyaniline adsorbed on the glass surface; comparison of experimental, empirical force field, and quantum chemical results2014 | Faculty of Mathematics and Physics
- Molecular Aspects of the Reactivation Process of Acetylcholinesterase Inhibited by Cyclosarin2011 | Publication without faculty affiliation
- Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity2011 | Faculty of Science, Central Library of Charles University
- Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents2015 | Publication without faculty affiliation
- Computer modeling of biomolecules2011 | Faculty of Mathematics and Physics
- Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities2016 | Faculty of Science
- Protein-Ligand Interactions in the STING Binding Site Probed by Rationally Designed Single-Point Mutations: Experiment and Theory2021 | Faculty of Science, Central Library of Charles University
- Computational enzymology and organophosphorus degrading enzymes: promising approaches toward remediation technologies of warfare agents and pesticides2016 | Publication without faculty affiliation
- On the Association of the Base Pairs on the Silica Surface Based on Free Energy Biased Molecular Dynamics Simulation and Quantum Mechanical Calculations2013 | Faculty of Science
- Comparison of satisfaction of students of schools using quality management systems with students of mainstream schools2021 | Faculty of Education
- Satisfaction of students in schools using quality management systems2023 | Faculty of Education
- Role of Environmental Dynamic Polarizability in Static Excited State Properties of Embedded Molecular Systems: Application to Disordered Fluorographene Systems2023 | Faculty of Mathematics and Physics
- Catalytic vs. uncatalyzed [2+2] photocycloadditions of quinones with alkynes2023 | Faculty of Science
- Chalcogen Bonding in Protein-Ligand Complexes: PDB Survey and Quantum Mechanical Calculations2018 | Faculty of Science
- Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins2019 | Faculty of Pharmacy in Hradec Králové
- Preparation and separation of telechelic carborane-containing poly(ethylene glycols)2013 | Faculty of Science
- Structure, Dynamical Behavior, and NMR Spectroscopy of the Phosphate Group2017 | Faculty of Mathematics and Physics
- Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors2019 | Central Library of Charles University
