Structure and Dynamics of Biological Systems: Integration of Neutron Scattering with Computer Simulation

摘要: The combination of molecular dynamics simulation and neutron scattering techniques has emerged as a highly synergistic approach to elucidate the atomistic details structure, dynamics, functions biological systems. Simulation models can be tested by calculating structure factors comparing results directly with experiments. If profiles agree, simulations used provide detailed decomposition interpretation experiments, if not, rationally adjusted. Comparison experiment made at level or, less directly, structural dynamical quantities derived from them. Here, we examine in SANS inelastic experiments on proteins other biopolymers.