- Electroluminescent behaviour of PPV layer. Experiment and quantum mechanical calculations1996 | Faculty of Mathematics and Physics
- Quantum mechanical calculations of electric structures in lineary conjugated polymers1995 | Publication without faculty affiliation
- Quantum mechanical calculations of electronic-conformational defects in phenylene vinylene oligomers1998 | Faculty of Mathematics and Physics, Central Library of Charles University
- Chalcogen Bonding in Protein-Ligand Complexes: PDB Survey and Quantum Mechanical Calculations2018 | Faculty of Science
- Analysis of the vibrational properties of uridine and 5'-UMP through neutron inelastic scattering, optical spectroscopies and quantum mechanical calculationsPublication 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
- Representative Amino Acid Side-Chain Interactions in Protein-DNA Complexes: A Comparison of Highly Accurate Correlated Ab Initio Quantum Mechanical Calculations and Efficient Approaches for Applications to Large Systems2015 | Faculty of Science
- Formamide-Based Post-impact Thermal Prebiotic Synthesis in Simulated Craters: Intermediates, Products and Mechanism2022 | Faculty of Science, Central Library of Charles University
- Malonate-based inhibitors of mammalian serine racemase: Kinetic characterization and structure-based computational study2015 | Faculty of Science
- A Nexus between Theory and Experiment: Non-Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]urilGuest Binding Interactions2016 | Faculty of Science
- Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins2019 | Faculty of Pharmacy in Hradec Králové
- Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach2022 | Faculty of Pharmacy in Hradec Králové
- cis-trans Isomerization of silybins A and B2014 | Faculty of Science
- Disulfide Chromophore and Its Optical Activity2010 | Faculty of Mathematics and Physics
- Structural characterization of P10-diversified urea-based inhibitors of glutamate carboxypeptidase II2014 | Central Library of Charles University
- Design and NMR characterization of reversible head-to-tail boronate-linked macrocyclic nucleic acids2022 | Faculty of Mathematics and Physics
- Electron Transfer and Associative Detachment in Low-Temperature Collisions of D- with H2015 | Faculty of Mathematics and Physics
- Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity2011 | Faculty of Science, Central Library of Charles University
- A molecular mechanic study of some factors causing high density of nitro compounds2010 | Faculty of Mathematics and Physics
- Synthesis and Biological Evaluation of Phosphoester and Phosphorothioate Prodrugs of STING Agonist 3',3'-c-di(2'F,2'dAMP)2021 | Faculty of Science, Central Library of Charles University
- Charge Transport in Single-Crystalline GaAs Nanobars: Impact of Band Bending Revealed by Terahertz Spectroscopy2022 | Faculty of Mathematics and Physics
- Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities2016 | Faculty of Science
- State Specific Stabilization of H+ + H-2(j) Collision Complexes2013 | Faculty of Mathematics and Physics
- Cluster spin glass in off-stoichiometric Ni2.01Mn1.58Sn0.41 alloy2023 | Faculty of Mathematics and Physics
- Influence of ligand binding on structure and thermostability of human α(1) -acid glycoprotein2016 | Faculty of Mathematics and Physics, Central Library of Charles University
- Elucidation of the tyrosinase/O2/monophenol ternary intermediate that dictates the monooxygenation mechanism in melanin biosynthesis2022 | Faculty of Science, Central Library of Charles University