The molecular dynamics simulations of the telomeric single-stranded DNA (ssDNA) and protection of telomere 1 (POT1) in the single and biding states have been performed for 100 ns to compare the structures of those and to calculate root-mean-deviation, gyration radii, root-mean-square fluctuation and the number of hydrogen bonds. We found that the structures of the telomeric ssDNA in the single and binding states are different, and that one guanine and Gln94 are important for the binding system.
- Masaaki Kaburagi
- Hironao Yamada
- Mitsuru Uesaka
