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Information × Registration Number 0215U001081, 0114U000687 , R & D reports Title Dynamics and ordering of the counterions around DNA double hilex popup.stage_title Head Perepelytsya Sergiy Mykolayovych, Registration Date 16-01-2015 Organization Bogolyubov Institute for Theoretical Physics of National Academy of Sciences of Ukraine popup.description2 Modeling of DNA fragment (CGCGAATTCGCG) with Na+, K+ and Cs+ counterions by molecular dynamics method has been performed. Trajectory length was 10 ns. The results showed that Na+ counterions interact with phosphate groups outside of the double helix and do not penetrate deep inside the DNA. Potassium ions are localized mainly in the groves of the double helix and can interact directly with nucleic bases. Cesium counterions penetrate deep inside the minor groove binding to nucleic bases. Chlorine ions tend to be localized at the large distances from DNA, but some Cl- anions has been detected near the atomic groups of the double helix due to the formation of electrically neutral pairs with the counterions already condensed on DNA. The lifetime of Na+ and K+ in complex with DNA less than 0.5 ns, in the case of Cs+ ions can reach several nanoseconds. This time scale cesium counterions are able to form an ordered system of charges in the middle of the minor groove of DNA, which can be regarded as the ionic lattice type. Product Description popup.authors Власюк А. В. Любиш О. О. Перепелиця С. М. popup.nrat_date 2020-04-02 Close