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Performance of a new atomistic geometrical model of the B-DNA configuration for DNA-radiation interaction simulations

Abstract : We have recently developed an atomistic model of the B-DNA configuration, up to the 30-nm chromatin fiber. This model is intended to be used in Monte Carlo simulations of the DNA-radiation interaction, specifically in conjunction with the Geant4-DNA extension of the Geant4 Monte Carlo toolkit. In this work, 11449 parallel chromatin fibers have been arranged within a cube mimicking a cell nucleus containing about 6.5×109 base pairs. Each atom in the model is represented by a sphere with the corresponding van der Waals radius. Direct single, double and total DNA strand break yields due to the impact of protons and alpha particles with LET ranging from 4.57 to 207.1 keV/μm have been determined. Also, the corresponding site-hit probabilities have been calculated.
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http://hal.in2p3.fr/in2p3-00978289
Contributor : Nathalie Martin <>
Submitted on : Monday, April 14, 2014 - 9:19:13 AM
Last modification on : Tuesday, May 19, 2020 - 9:14:12 AM

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M.A. Bernal, D. Sikansi, F. Cavalcante, S. Incerti, C. Champion, et al.. Performance of a new atomistic geometrical model of the B-DNA configuration for DNA-radiation interaction simulations. 2nd International Conference on Mathematical Modeling in Physical Sciences 2013 (IC-MSQUARE 2013), Sep 2013, Prague, Czech Republic. pp.012150, ⟨10.1088/1742-6596/490/1/012150⟩. ⟨in2p3-00978289⟩

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