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

Docking Result

CHEMBL375508_dpp4

Atoms: 288
Models: 9
Best Energy: -8.204 kcal/mol

Binding Energies:
  • Pose 1: -8.204 kcal/mol
  • Pose 2: -7.953 kcal/mol
  • Pose 3: -7.87 kcal/mol
  • Pose 4: -7.707 kcal/mol
  • Pose 5: -7.662 kcal/mol
  • Pose 6: -7.657 kcal/mol
  • Pose 7: -7.634 kcal/mol
  • Pose 8: -7.524 kcal/mol
  • Pose 9: -7.511 kcal/mol
CHEMBL375508_dpp4
Energy Plot
RMSD Scatter Plot