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. 2020 Jun 3;60(11):5395–5406. doi: 10.1021/acs.jcim.0c00456

Figure 4.

Figure 4

Different conformations of the S-adenosyl-l-methionine (SAM) cofactor in system PNMT at the end of A-EDS equilibrium simulations of the ligand end states bound to the protein, for an acceleration level of 2σ (red, PNMT ligand in magenta) and 3σ (green, PNMT ligand in light green).