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The physical stage of radiolysis of solvated DNA by high-energy-transfer particles : insights from new first principles simulations


The physical stage of radiolysis of solvated DNA by high-energy-transfer particles : insights from new first principles simulations

A. de la Lande et ses collaborateurs ont publié récemment un article dans Physical Chemistry Chemical Physics :
"The physical stage of radiolysis of solvated DNA by high-energy-transfer particles : insights from new first principles simulations"

Electron dynamics simulations based on density functional theory are carried out on nanometric molecular systems to decipher the primary processes following irradiation of bio-macromolecules by high energy transfer charged particles.).
This methodology has been developed thanks to the support of INC of CNRS (Emergence@INC 2018 grant) is now used by various PhD students belonging to ThéoSim to investigate by simulations the primary processes involved in radiolysis of matter, in tight collaboration with experimental teams.

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