@article{oai:repo.qst.go.jp:00079925,
 author = {Yonetani, Yoshiteru and Nakagawa, Hiroshi and Yonetani, Yoshiteru},
 journal = {Chemical Physics Letters},
 month = {Jun},
 note = {We calculated solvent accessibility of DNA backbone hydrogen sites, H1'-H5' by using molecular dynamics simulation of DNA. The result of accessibility is well correlated with the site-dependent reactivity with OH radicals experimentally reported, indicating that the different DNA-radical reactivity is mainly caused by the difference in the solvent accessibility of each hydrogen site. Compared with the previous calculation with solvent-accessible surface area, the present MD-based counting of molecular access provided a slightly improved result, which suggests importance of more realistic molecular components such as electrostatic interactions and DNA conformational fluctuation.},
 title = {Understanding water-mediated DNA damage production by molecular dynamics calculation of solvent accessibility},
 volume = {749},
 year = {2020}
}