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

Docking Result

CHEMBL328655_dpp4

Atoms: 117
Models: 9
Best Energy: -5.276 kcal/mol

Binding Energies:
  • Pose 1: -5.276 kcal/mol
  • Pose 2: -5.046 kcal/mol
  • Pose 3: -5.016 kcal/mol
  • Pose 4: -4.968 kcal/mol
  • Pose 5: -4.904 kcal/mol
  • Pose 6: -4.886 kcal/mol
  • Pose 7: -4.841 kcal/mol
  • Pose 8: -4.676 kcal/mol
  • Pose 9: -4.659 kcal/mol
CHEMBL328655_dpp4
Energy Plot
RMSD Scatter Plot