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

Docking Result

CHEMBL3675621_dpp4

Atoms: 405
Models: 9
Best Energy: -9.738 kcal/mol

Binding Energies:
  • Pose 1: -9.738 kcal/mol
  • Pose 2: -9.431 kcal/mol
  • Pose 3: -9.161 kcal/mol
  • Pose 4: -9.134 kcal/mol
  • Pose 5: -8.979 kcal/mol
  • Pose 6: -8.97 kcal/mol
  • Pose 7: -8.929 kcal/mol
  • Pose 8: -8.919 kcal/mol
  • Pose 9: -8.765 kcal/mol
CHEMBL3675621_dpp4
Energy Plot
RMSD Scatter Plot