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. 2019 May 24;59(6):2830–2836. doi: 10.1021/acs.jcim.9b00298

Figure 5.

Figure 5

Projection of the free energy landscapes onto Z-projection and XY-projection by reweighting.18 Boxes: Representative conformations of the ligands bound to the main binding site of the receptors, LUF5452 interacting with the hydrophobic ECV pocket in A1R, and the two molecules breaking the salt bridge at the entrance of the orthosteric site of the proteins.