Skip to main content
. Author manuscript; available in PMC: 2018 May 9.
Published in final edited form as: J Chem Theory Comput. 2017 Apr 19;13(5):2072–2085. doi: 10.1021/acs.jctc.7b00068

Figure 7.

Figure 7

Solution X-ray scattering profiles for EcoRI and 1DCV from experiments90 and from MD simulations using the Drude force field developed in this work. The computed simulation trajectories are the average of 1,000 snapshots extracted at 1-ns intervals over the course of the 1-μs trajectories. Simulation scattering profiles were calculated with CRYSOL.70