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Information × Registration Number 0221U105179, 0119U102721 , R & D reports Title Computer simulation of many-particle systems with Coulomb interaction: from plasma to biological macromolecules popup.stage_title Head Chernyak Oleksandr M., Registration Date 10-06-2021 Organization Bogolybov Institute for Theoretical Physics of NASU popup.description2  The transport of particles by a random electric field and the influence of an external electric field on the mechanics of a DNA macromolecule are investigated. Correlation functions of particle velocities along trajectories and transport coefficients are calculated using particle trajectories obtained in numerical simulation for different parameters: random field correlation time, finite Larmor radius, initial velocity along magnetic field. A generalization of the statistical approach to the particle transport by a random electric field to account for the particle motion along a constant magnetic field is demonstrated. It is shown by numerical simulation and analytical approach that particle motion along the magnetic field causes the suppression of correlations in their motion across the magnetic field. With increasing initial velocity along the magnetic field the attenuation of correlations increases. The method of molecular dynamics was used to model the DNA system in water-ion solution, as well as free KCl solution under the action of an external electric field. The coefficients of conductivity and mobility of ions for the different orientations of the electric field relative to the axis of the double helix are calculated. In a system with a DNA macromolecule, counterions near the double helix are slowed down compared to free KCl solution. In the case of parallel orientation of the electric field, the ions begin to move along the minor groove of the DNA macromolecule. Under the high voltages (over 2000 mV) applied orthogonal to the double helix the conformational transition is observed in the structure of the DNA macromolecule. Product Description popup.authors Zdorevskyi Oleksii O. Chernyak Oleksandr M. popup.nrat_date 2021-06-10 Close