By using a combination of Density Functional Theory and solvation continuum models, we investigated the photoinduced electron transfer (ET) process in bromouracil (BrU) labeled DNA duplexes. The calculated rates show that the photoreaction could not be efficient without introducing additional adenines between G and BrU, which accelerates the forward and slows down the back ET.
Link: https://pubs.rsc.org/en/content/articlelanding/2019/cp/c8cp07700b
