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

Docking Result

CHEMBL2069837_dpp4

Atoms: 342
Models: 9
Best Energy: -9.12 kcal/mol

Binding Energies:
  • Pose 1: -9.12 kcal/mol
  • Pose 2: -8.59 kcal/mol
  • Pose 3: -8.435 kcal/mol
  • Pose 4: -8.429 kcal/mol
  • Pose 5: -8.341 kcal/mol
  • Pose 6: -8.323 kcal/mol
  • Pose 7: -8.165 kcal/mol
  • Pose 8: -8.154 kcal/mol
  • Pose 9: -8.099 kcal/mol
CHEMBL2069837_dpp4
Energy Plot
RMSD Scatter Plot