Figure 4 | Scientific Reports

Figure 4

From: Atomistic simulations shed new light on the activation mechanisms of RORγ and classify it as Type III nuclear hormone receptor regarding ligand-binding paths

Figure 4

Radial distribution functions for the solvation around the H479-Y502 agonist lock centered on the OH atom of Y502 for (A) the apo, (B) 5-LBD, (C) 10-LBD and (D) 10-LBD started without any water molecules inside the binding site. The black and red profiles show the water density and aggregate number of water molecules along the radius, respectively. Only results of the first MD simulation are shown for each system.

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