Browsing by Author "Heger, Zbyněk"
Now showing items 1-5 of 5
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Anticarcinogenic effect of spices due to phenolic and flavonoid compounds-in vitro evaluation on prostate cells
(MDPI AG (Multidisciplinary Digital Publishing Institute-MDPI), 2017)This study shows the effects of spices, and their phenolic and flavonoid compounds, on prostate cell lines (PNT1A, 22RV1 and PC3). The results of an MTT assay on extracts from eight spices revealed the strongest inhibitory ... -
A color-tunable single-benzene fluorophore-based sensor for sensitive detection of palladium in solution and living cells
(Royal Society of Chemistry, 2023)Single-benzene fluorophores are bright and the smallest fluorochromes known so far. In single-benzene fluorophores, the fluorescence is mediated by the push/pull effect of substituting groups. Despite a plethora of ... -
Homology modeling in the time of collective and artificial intelligence
(Elsevier Science BV, 2020)Homology modeling is a method for building protein 3D structures using protein primary sequence and utilizing prior knowledge gained from structural similarities with other proteins. The homology modeling process is done ... -
Rotamer Dynamics: Analysis of Rotamers in Molecular Dynamics Simulations of Proteins
(Biophysical Society, 2019)Given by χ torsional angles, rotamers describe the side-chain conformations of amino acid residues in a protein based on the rotational isomers (hence the word rotamer). Constructed rotamer libraries, based on either protein ... -
Solvent Accessibility Promotes Rotamer Errors during Protein Modeling with Major Side-Chain Prediction Programs
(American Chemical Society, 2023)Side-chain rotamer prediction is one of the most critical late stages in protein 3D structure building. Highly advanced and specialized algorithms (e.g., FASPR, RASP, SCWRL4, and SCWRL4v) optimize this process by use of ...
