Abstract: As the life engine, protein conducts most of the biofunctions in living matters. These functions require unique protein structures to fluctuate over time and space. Hence, exploring the internal dynamics of the protein molecules as well as its connection to the protein function is a central topic in biophysics. In this report, we summarized recent progress achieved in our group, which combines neutron scattering experiment, deuteration technique, and molecular dynamics simulation to study dynamics of the protein and its surface water molecules.

Key words: Protein dynamics; Molecular dynamics simulation; Neutron scattering; Dynamical transition; Sub-diffusive motion; Hydration water