DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL431425_dpp4

Atoms: 162
Models: 9
Best Energy: -6.042 kcal/mol

Binding Energies:
  • Pose 1: -6.042 kcal/mol
  • Pose 2: -6.015 kcal/mol
  • Pose 3: -5.954 kcal/mol
  • Pose 4: -5.949 kcal/mol
  • Pose 5: -5.935 kcal/mol
  • Pose 6: -5.861 kcal/mol
  • Pose 7: -5.754 kcal/mol
  • Pose 8: -5.741 kcal/mol
  • Pose 9: -5.726 kcal/mol
CHEMBL431425_dpp4
Energy Plot
RMSD Scatter Plot