Probing the reactivity underpinning DNA lesions by multiscale simulations
Résumé
The identification of complex oxidatively-generated DNA lesions involving not only a single-nucleobase but two proximal nucleotides has truly revolutionized the DNA damage/repair line of research since such lesions are formed with a very low occurrence (typically a few lesions per 109 nucleotides) but turn out to be highly mutagenic. The structural elucidation of complex lesions is extremely challenging and many questions unanswered and modelling insights are sought to corroborate multistep mechanisms that are currently only postulated, even for the prototypical 8-oxoguanine.