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

Docking Result

CHEMBL2069835_dpp4

Atoms: 279
Models: 9
Best Energy: -8.524 kcal/mol

Binding Energies:
  • Pose 1: -8.524 kcal/mol
  • Pose 2: -8.395 kcal/mol
  • Pose 3: -8.323 kcal/mol
  • Pose 4: -8.315 kcal/mol
  • Pose 5: -8.295 kcal/mol
  • Pose 6: -8.081 kcal/mol
  • Pose 7: -7.971 kcal/mol
  • Pose 8: -7.786 kcal/mol
  • Pose 9: -7.778 kcal/mol
CHEMBL2069835_dpp4
Energy Plot
RMSD Scatter Plot