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

Docking Result

CHEMBL3654427_dpp4

Atoms: 288
Models: 9
Best Energy: -6.06 kcal/mol

Binding Energies:
  • Pose 1: -6.06 kcal/mol
  • Pose 2: -5.787 kcal/mol
  • Pose 3: -5.738 kcal/mol
  • Pose 4: -5.721 kcal/mol
  • Pose 5: -5.504 kcal/mol
  • Pose 6: -5.457 kcal/mol
  • Pose 7: -5.412 kcal/mol
  • Pose 8: -5.372 kcal/mol
  • Pose 9: -5.344 kcal/mol
CHEMBL3654427_dpp4
Energy Plot
RMSD Scatter Plot