Protein dynamics and hydration studied by inelastic neutron scattering and molecular dynamics simulation

Nakagawa, Hiroshi   

Inelastic neutron scattering can measure the protein thermal fluctuations under the physiological conditions with aqueous environment, and is the powerful method to observe the low-energy protein dynamics in THz region, which is essential for the solvent-coupled protein dynamics. The selective observation of protein and hydration water by deuteration, and the complementary analysis of hydration structure and dynamics with molecular dynamics simulation are effective methods for studying the protein hydration. Protein dynamical transition is coupled with the fluctuation of the hydration water network covered over the protein surface. The hydration and vitrification of protein studied by inelastic scattering can be expected to give fruitful information not only for a basic science of protein physics but also for a molecular biology and an application for a food science.