中性子非干渉性散乱と分子シミュレーションによる生体分子の水和とダイナミクスの研究

抄録

  Bio-molecular dynamics should be characterized with wide time-space ranges. Incoherent neutron scattering is the powerful method to observe the dynamics in THz region, which is essential for the solvent-coupled dynamics. Furthermore, this method is sensitive to the hydration water dynamics. The incoherent scattering gives auto-correlation function of a single atom, therefore, information of the molecular structure is lost in this kind of neutron experiment. The molecular dynamics simulation is effective for analysis and interpretation of the experimental data. We have shown that the protein dynamical transition is coupled with the fluctuation of the hydration water network on protein surface, and that DNA dynamics is sequence dependent, by incoherent neutron scattering and molecular simulation.