- 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
- Amiridine-piperazine hybrids as cholinesterase inhibitors and potential multitarget agents for Alzheimer's disease treatment2021 | Publication without faculty affiliation
- Computer modeling of biomolecules2011 | Faculty of Mathematics and Physics
- The influence of gadolinium concentration on the twin propagation rate in magnesium alloys2023 | Faculty of Mathematics and Physics, Central Library of Charles University
- Rotational and translational dynamics of CO2 adsorbed in MOF Zn-2(bdc)(2)(dabco)2015 | Faculty of Mathematics and Physics
- RNA- based boronate internucleosidic linkages: an entry into reversible templated ligation and loop formation2018 | Faculty of Mathematics and Physics
- Neutralization of lenvatinib charge hampers encapsulation into ferritin nanocages2019 | Faculty of Mathematics and Physics, Faculty of Science
- Structure and dynamics of the hyaluronan oligosaccharides and their solvation shell in water: Organic mixed solvents2023 | Faculty of Science, Central Library of Charles University
- Molecular Dynamics with Helical Periodic Boundary Conditions2014 | Faculty of Science
- Recrystallization of thin Fe-based nanocrystalline films2023 | Faculty of Mathematics and Physics
- Salt-dependent intermolecular interactions of hyaluronan molecules mediate the formation of temporary duplex structures2022 | Faculty of Science
- 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
- Effect of Polycation Structure on Interaction with Lipid Membranes2017 | First Faculty of Medicine
- FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculations2017 | Faculty of Pharmacy in Hradec Králové
- Functionalization of the Parylene C Surface Enhances the Nucleation of Calcium Phosphate: Combined Experimental and Molecular Dynamics Simulations Approach2020 | Faculty of Science, Central Library of Charles University
- Modulation of Anionic Lipid Bilayers by Specific Interplay of Protons and Calcium Ions2022 | Faculty of Mathematics and Physics, Central Library of Charles University
- Dynamics of transition dipole moment orientation in representative fluorescent proteins2023 | First Faculty of Medicine
- A Computational Study of the Glycine-Rich Loop of Mitochondrial Processing Peptidase2013 | Faculty of Science
- Structural Changes in Ceramide Bilayers Rationalize Increased Permeation through Stratum Corneum Models with Shorter Acyl Tails2015 | Faculty of Pharmacy in Hradec Králové
- When Two Become One: Conformational Changes in FXR/RXR Heterodimers Bound to Steroidal Antagonists2023 | Faculty of Science, Faculty of Pharmacy in Hradec Králové
- Understanding the wetting of transition metal dichalcogenides from an ab initio perspective2023 | Faculty of Mathematics and Physics
- Explaining the striking difference in twist-stretch coupling between DNA and RNA: A comparative molecular dynamics analysis2015 | Faculty of Science
- In Silico Identification and Validation of Organic Triazole Based Ligands as Potential Inhibitory Drug Compounds of SARS-CoV-2 Main Protease +12021 | Faculty of Science
- Dynamic study of small toxic hydrophobic proteins PepA1 and PepG1 of Staphylococcus aureus2022 | Faculty of Science, First Faculty of Medicine, Central Library of Charles University
- Thermodynamics of the ion association of potassium cobalt(III) bis(1,2-dicarbollide) in acetonitrile, methanol and dimethyl sulfoxide2023 | Faculty of Science
- Computer modeling of polymer stars in variable solvent conditions: a comparison of MD simulations, self-consistent field (SCF) modeling and novel hybrid Monte Carlo SCF approach2021 | Faculty of Science
- Mapping of CaM, S100A1 and PIP2-Binding Epitopes in the Intracellular N- and C-Termini of TRPM42020 | Faculty of Mathematics and Physics, First Faculty of Medicine, Faculty of Physical Education and Sport
- Effect O6-Guanine Alkylation on DNA Flexibility Studied by Comparative Molecular Dynamics Simulations2015 | Faculty of Science
- Ionic Strength and Solution Composition Dictate the Adsorption of Cell-Penetrating Peptides onto Phosphatidylcholine Membranes2022 | Faculty of Mathematics and Physics, Faculty of Science