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. 2017 Feb 6;7:42015. doi: 10.1038/srep42015

Figure 7. Free energy profiles of the five inhibitors with PLY via the Steered Molecular Dynamics (SMD) method.

Figure 7

The calculated binding free energies of the PLY-CHO (square), PLY-CAM (circle), and PLY-SIO (down triangle) complexes were higher than those of the PLY-BRA (diamond) and PLY-LAN (up triangle) complexes.