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

Docking Result

CHEMBL2147709_dpp4

Atoms: 306
Models: 9
Best Energy: -9.272 kcal/mol

Binding Energies:
  • Pose 1: -9.272 kcal/mol
  • Pose 2: -8.702 kcal/mol
  • Pose 3: -8.692 kcal/mol
  • Pose 4: -8.617 kcal/mol
  • Pose 5: -8.442 kcal/mol
  • Pose 6: -8.299 kcal/mol
  • Pose 7: -8.25 kcal/mol
  • Pose 8: -8.149 kcal/mol
  • Pose 9: -8.139 kcal/mol
CHEMBL2147709_dpp4
Energy Plot
RMSD Scatter Plot