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

Docking Result

CHEMBL425905_dpp4

Atoms: 261
Models: 9
Best Energy: -7.724 kcal/mol

Binding Energies:
  • Pose 1: -7.724 kcal/mol
  • Pose 2: -7.591 kcal/mol
  • Pose 3: -7.281 kcal/mol
  • Pose 4: -7.206 kcal/mol
  • Pose 5: -7.201 kcal/mol
  • Pose 6: -6.991 kcal/mol
  • Pose 7: -6.887 kcal/mol
  • Pose 8: -6.844 kcal/mol
  • Pose 9: -6.833 kcal/mol
CHEMBL425905_dpp4
Energy Plot
RMSD Scatter Plot