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

Docking Result

CHEMBL3644459_dpp4

Atoms: 279
Models: 9
Best Energy: -8.344 kcal/mol

Binding Energies:
  • Pose 1: -8.344 kcal/mol
  • Pose 2: -8.307 kcal/mol
  • Pose 3: -8.015 kcal/mol
  • Pose 4: -7.881 kcal/mol
  • Pose 5: -7.773 kcal/mol
  • Pose 6: -7.605 kcal/mol
  • Pose 7: -7.564 kcal/mol
  • Pose 8: -7.518 kcal/mol
  • Pose 9: -7.454 kcal/mol
CHEMBL3644459_dpp4
Energy Plot
RMSD Scatter Plot