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

Docking Result

CHEMBL487872_dpp4

Atoms: 279
Models: 9
Best Energy: -8.869 kcal/mol

Binding Energies:
  • Pose 1: -8.869 kcal/mol
  • Pose 2: -8.68 kcal/mol
  • Pose 3: -8.175 kcal/mol
  • Pose 4: -8.152 kcal/mol
  • Pose 5: -8.138 kcal/mol
  • Pose 6: -8.12 kcal/mol
  • Pose 7: -7.968 kcal/mol
  • Pose 8: -7.671 kcal/mol
  • Pose 9: -7.589 kcal/mol
CHEMBL487872_dpp4
Energy Plot
RMSD Scatter Plot