title: Simulation of the charge migration in DNA under irradiation with heavy ions.
abstract: A computer model to simulate the processes of charge injection and migration through DNA after irradiation by a heavy charged particle was developed. The most probable sites of charge injection were obtained by merging spatial models of short DNA sequence and a single 1 GeV/u iron particle track simulated by the code RITRACKS (Relativistic Ion Tracks). Charge migration was simulated by using a quantum-classical nonlinear model of the DNA-charge system. It was found that charge migration depends on the environmental conditions. The oxidative damage in DNA occurring during hole migration was simulated concurrently, which allowed the determination of probable locations of radiation-induced DNA lesions.
authors.affiliation: Laboratory of Radiation Biology, Joint Institute for Nuclear Research, 6 Joliot-Curie Street, 141980 Dubna, Moscow Region, Russia.
authors.forename: Oleg V
authors.initials: OV
authors.lastname: Belov
authors.affiliation: Far Eastern Federal University, 8 Sukhanov Street, 690950 Vladivostok, Russia.
authors.forename: Denis L
authors.initials: DL
authors.lastname: Boyda
authors.affiliation: Wyle Science, Technology and Engineering, 1300 Hercules Ave, Houston, Texas 77058, USA.
authors.forename: Ianik
authors.initials: I
authors.lastname: Plante
authors.affiliation: Far Eastern Federal University, 8 Sukhanov Street, 690950 Vladivostok, Russia.
authors.forename: Sergey Eh
authors.initials: SE
authors.lastname: Shirmovsky
mesh_terms: D003198:Computer Simulation; D003359:Cosmic Radiation; D004249:DNA Damage; D020450:Heavy Ions; D007477:Ions / Q000737:chemistry* / Q000528:radiation effects*; D008956:Models, Chemical; D015233:Models, Statistical; D011789:Quantum Theory; D011829:Radiation Dosage; D055672:Static Electricity
chemical_list: D007477:Ions
keywords: DNA damage; charge migration; radiation