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Communication Dans Un Congrès Année : 2019

Mapping DNA lesions in and out the nucleosome: insights from molecular dynamics simulations

Elise Dumont

Résumé

I will present our recent efforts to achieve a robust, computationally-driven assessment of the structure and dynamics of damaged oligonucleotides. Molecular modeling indeed offers a same-footing description to compare the effects of various DNA defects on structural properties and repair propensities [1]. The computational efficiency of GPU-accelerated molecular dynamics codes allows to dissect the impact of abasic and 6-4 PP lesions within a nucleosome core particle, for which interactions between DNA defects and histone tails become crucial. References[1] E. Bignon, H. Gattuso, C. Morell, F. Dehez, A. Georgakilas, A. Monari, E. Dumont, Nucl. Acids Res. 2016, 44, 8588-8599

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Chimie
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Dates et versions

hal-02308329 , version 1 (08-10-2019)

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  • HAL Id : hal-02308329 , version 1

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Elise Dumont. Mapping DNA lesions in and out the nucleosome: insights from molecular dynamics simulations. 3rd Workshop on DNA Damage and Repair (DNADNR): Chemistry, Biology, and Medicine, Sep 2019, Valencia, Spain. ⟨hal-02308329⟩
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