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Figure 2 | BMC Bioinformatics

Figure 2

From: Peptide ligand screening of α-synuclein aggregation modulators by in silico panning

Figure 2

Distribution of the docking energy. The ranks of the peptide ligands in each generation are shown on the X- and Y-axes. The Z-axis shows the docking energies, which were calculated as follows: (a) docking total energy = electrostatic energies + van der Waals energies + conformational energy of the ligand; (b) interaction energy = total docking energy - conformational energy of the ligand. At the 1st to the 3rd generation, the peptides were evaluated by the total docking energy (a); at the 4th to the 6th generation, the peptides were evaluated by the interaction energy (b).

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