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Information × Registration Number 0217U001482, 0116U004757 , R & D reports Title Computer simulation and experimental study of biological nanocomposite systems. popup.stage_title Head Kornelyuk Alexander, Registration Date 17-02-2017 Organization Taras Shevchenko Kiev University popup.description2 Biological nanocomposite systems are fundamental to living systems, hence the need for a comprehensive analysis of the ways and mechanisms of their formation, and the means to include exogenous origin of nanostructures in biological systems (from molecular complexes to macrolevel) and study their biological activity; Disclosure prospects for further industrial use, including the development of new antibiotics and direct application of nanocomposite systems to create a highly sensitive biosensor analyzers. As a result of the first phase of the study were obtained following main results. Made significant step in the understanding of scientific issues - establishment of basic microstructural mechanisms that determine the molecular logic of spontaneous point mutagenesis - the emergence and consolidation of mistakes on and replication in the biosynthesis of DNA and made summarizing the conclusion that the spontaneous point mutations evolutionarily programmed into the electronic structure of the canonical bases DNA and therefore is unavoidable. By comparing the calculated data with the results of X-ray analysis was first shown to the wrong base pairs of the Watson-Crick geometry A • C and G • T are in the active center of precision DNA polymerase in its closed position in tautomeric forms A • C * and G * • T that meet global minimum free energy. Installed and configured software packages GROMACS 5.0, ORCA 3.0 and GAUSSIAN for hybrid QM / MM molecular dynamics calculations. Molecular dynamics study of MtTyrRS showed that the binding site of tyrosine is negatively charged, while the ATP binding site contains positively charged residues Lys231 and Lys234 of KFGKS catalytic sequence. The duration of the hydrogen bonds between the substrate and enzyme shows conformational flexibility of the active site. The development and optimization of a method for immobilizing enzymes was performed to create biosensors based on urease immobilized on zeolites nanoparticles. Also, it was found that TiO 2 nanoparticle suspension under the cumulative action of histamine modulates activated and its background - nicotine mechanisms of neurotransmitter release from neurons intramural nerve plaiting circular smooth muscle. Product Description popup.authors А. Науменко В. Заєць В. Пєшкова Г. Бахмачук Д. Говорун Д. Дідух К. Степурська М. Мацишин О. Броварець О. Дудченко О. Корнелюк О. Солдаткін О. Солдаткін О. Солдаткіна О. Цимбалюк О. Цуварев С. Дзядевич Т. Давидовська popup.nrat_date 2020-04-02 Close