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. 2020 Jul 30;153(4):044130. doi: 10.1063/5.0014475

FIG. 20.

FIG. 20.

A simple MDFF example of fitting a protein structure into a density map. (a) The x-ray structure of an adenylate kinase protein (PDB:1AKE). (b) The protein structure rigid body docked to the density map. (c) The protein structure inside the density map after running an MDFF simulation. (d) The overall quality of fit (cross correlation) during an MDFF simulation.