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

Autor(es)

Bernal, M. A. ; Sikansi, D. ; Cavalcante, F. ; Incerti, S. ; Champion, C. ; Ivanchenko, V. ; Francis, Z. ; Karamitros, M. ; Vagenas, EC ; Vlachos, DS

• Tipo de documento: Artigo Científico
• Fonte: WAKE CONFERENCE 2021; v. 490, p. 4-pg., 2014-01-01.

Resumo

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 6.5x10(9) 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/mu m have been determined. Also, the corresponding site-hit probabilities have been calculated. (AU)

• Processo FAPESP: 11/51594-2 - Desenvolvimento de um sistema computacional para a simulação da interação da radiação ionizante com o material genético humano
• Beneficiário: Mario Antonio Bernal Rodriguez
• Modalidade de apoio: Auxílio à Pesquisa - Jovens Pesquisadores