title: Analysis of low-frequency phonons in guanosine dihydrate based on molecular dynamics simulations.
abstract: 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.
authors.affiliation: School of Science, Kitasato University, Kitasato, Sagamihara, Kanagawa 228-8555, Japan. syoneda@kitasato-u.ac.jp
authors.forename: Shigetaka
authors.initials: S
authors.lastname: Yoneda
authors.forename: Yoko
authors.initials: Y
authors.lastname: Sugawara
authors.forename: Hisako
authors.initials: H
authors.lastname: Urabe