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

Docking Result

CHEMBL2069838_dpp4

Atoms: 279
Models: 9
Best Energy: -7.986 kcal/mol

Binding Energies:
  • Pose 1: -7.986 kcal/mol
  • Pose 2: -7.974 kcal/mol
  • Pose 3: -7.855 kcal/mol
  • Pose 4: -7.833 kcal/mol
  • Pose 5: -7.795 kcal/mol
  • Pose 6: -7.596 kcal/mol
  • Pose 7: -7.556 kcal/mol
  • Pose 8: -7.494 kcal/mol
  • Pose 9: -7.471 kcal/mol
CHEMBL2069838_dpp4
Energy Plot
RMSD Scatter Plot