Analysis of low-frequency phonons in guanosine dihydrate based on molecular dynamics simulations.
Fourier analysis, using the atomic trajectory calculated by molecular dynamics simulation at 300 K, is applied to the study of low-frequency phonons of guanine dihydrate. The vibrational modes of guanine bases are analyzed, and the optically active modes associated with the guanine moieties are extracted. There are a few significant peaks in the low-frequency region. A possible assignment of the Raman active mode near 27 cm(-1), whose origin would be common to the S-mode of DNA double helices, is discussed.
Yoneda
Shigetaka
S
School of Science, Kitasato University, Kitasato, Sagamihara, Kanagawa 228-8555, Japan. syoneda@kitasato-u.ac.jp
Sugawara
Yoko
Y
Urabe
Hisako
H