- MD Simulations Shed Light on the Ability of Phosphonate Antisense Nucleic Acids to Hybridize with mRNA and to Elicit RnaseH Activity2004 | Faculty of Mathematics and Physics
- MD Simulations Highlight the Ability of Antisense Nucleic Acids to Hybridize with the Target mRNA Sequence and Their Potency to Elicit RNase H Activity2004 | Faculty of Mathematics and Physics
- Concentration and solvent dependent SERS, DFT, MD simulations and molecular docking studies of a thioxothiazolidine derivative with antimicrobial properties2021 | Faculty of Pharmacy in Hradec Králové
- TD-DFT, DFT, docking, MD simulations, and concentration-dependent SERS investigations of a bioactive trifluoromethyl derivative having human acetylcholinesterase and butyrylcholinesterase in silver colloids2023 | Faculty of Pharmacy in Hradec Králové
- Palmitoylation modifies transmembrane adaptor protein PAG for ordered lipid environment: A molecular dynamics simulation study2024 | Faculty of Science, Central Library of Charles University
- Detection and characterization at nM concentration of oligomers formed by hIAPP, Aβ(1-40) and their equimolar mixture using SERS and MD simulations2018 | Central Library of Charles University
- 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
- 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
- Juno and CD9 protein network organization in oolemma of mouse oocyte2023 | Faculty of Science
- The role of prolines and glycine in the transmembrane domain of LAT +12021 | Faculty of Science, Central Library of Charles University
- The vertical excitation energies and a lifetime of the two lowest singlet excited states of the conjugated polyenes from C2 to C22: Ab initio, DFT, and semiclassical MNDO-MD simulations2023 | Faculty of Mathematics and Physics
- 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
- Specific Inhibition of VanZ-Mediated Resistance to Lipoglycopeptide Antibiotics2022 | Faculty of Science
- Dissecting the mechanisms of environment sensitivity of smart probes for quantitative assessment of membrane propertiesPublication without faculty affiliation
- Amiridine-piperazine hybrids as cholinesterase inhibitors and potential multitarget agents for Alzheimer's disease treatment2021 | Publication without faculty affiliation
- Anastrozole-mediated modulation of mitochondrial activity by inhibition of mitochondrial permeability transition pore opening: an initial perspective2023 | Faculty of Medicine in Hradec Králové
- Conformational behavior of comb-like polyelectrolytes in selective solvent: Computer simulation study2007 | Faculty of Science
- A Computational Study of the Glycine-Rich Loop of Mitochondrial Processing Peptidase2013 | Faculty of Science
- Deformation mechanisms of Al thin films: In-situ TEM and molecular dynamics study2022 | Faculty of Mathematics and Physics
- Recognition of 2 ',5 '-linked oligoadenylates by human ribonuclease L: molecular dynamics study2014 | Faculty of Mathematics and Physics
- Dynamic study of small toxic hydrophobic proteins PepA1 and PepG1 of Staphylococcus aureus2022 | Faculty of Science, Central Library of Charles University, First Faculty of Medicine
- Ionic Strength and Solution Composition Dictate the Adsorption of Cell-Penetrating Peptides onto Phosphatidylcholine Membranes2022 | Faculty of Mathematics and Physics, Faculty of Science
- Modulating Aβ aggregation by tyrosol-based ligands: The crucial role of the catechol moiety2020 | Central Library of Charles University
- Processes in nanostructures si mulated by molecular dynamics2023 | Faculty of Mathematics and Physics
- Computer modeling of biomolecules2011 | Faculty of Mathematics and Physics
- Synthesis and structural characterization of monomeric and dimeric peptide nucleic acids prepared by using microwave-promoted multicomponent reactions2015 | Faculty of Mathematics and Physics
- 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
- UV PHOTOFRAGMENTATION OF ISOLATED ALKYL CHLORIDES: VELOCITY MAP IMAGING AND MOLECULE DYNAMICS STUDY2021 | Faculty of Mathematics and Physics