Intra-strand thymine dimerization is recognized as the most abundant process leading to DNA damage under ultraviolet irradiation. This mutagenic photoproduct disrupts the function of DNA and leads to complex biological responses, including apoptosis, immune suppression and carcinogenesis. We use on-the-fly mixed quantum/classical (QM/MM) molecular dynamics simulations to follow the formation of the dimer on an atomic level.
© 2012, Max Planck Institute for Biophysical Chemistry, Göttingen