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

Docking Result

CHEMBL3617968_dpp4

Atoms: 270
Models: 9
Best Energy: -8.927 kcal/mol

Binding Energies:
  • Pose 1: -8.927 kcal/mol
  • Pose 2: -8.325 kcal/mol
  • Pose 3: -8.173 kcal/mol
  • Pose 4: -7.997 kcal/mol
  • Pose 5: -7.96 kcal/mol
  • Pose 6: -7.931 kcal/mol
  • Pose 7: -7.815 kcal/mol
  • Pose 8: -7.742 kcal/mol
  • Pose 9: -7.604 kcal/mol
CHEMBL3617968_dpp4
Energy Plot
RMSD Scatter Plot