Molecular dynamics simulations of DNA strand breaks

Ionizing radiation such as gamma- and X-rays causes genetic damage and cancer by means of breaking DNA molecule, including both single and double strand breaks. Due to their lethal consequences and relatively high probability of introduction of repair errors and mutations, double strand breaks are among the most important and dangerous DNA lesions. However, the mechanisms of their recognition and repair processes are only poorly known. This presentation reports selected results of computer analysis of a DNA with single strand break, employing both molecular dynamics and quantum simulations. Furthermore, utilizing these results as a template study, the preliminary results of more complex analysis of double strand break and the first stage of its enzymatic repair mechanism - annealing process - are reported. (author)