Combination of coarse-grained molecular dynamics simulations and small-angle X-ray scattering experiments
The combination of molecular dynamics (MD) simulations and small-angle X-ray scattering (SAXS), called the MD-SAXS method, is efficient for investigating protein dynamics.To overcome the time-scale limitation of all-atom MD simulations, coarse-grained (CG) representations are often utilized for biomolecular simulations.In this study, we propose a m