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

Docking Result

CHEMBL236719_dpp4

Atoms: 306
Models: 9
Best Energy: -9.224 kcal/mol

Binding Energies:
  • Pose 1: -9.224 kcal/mol
  • Pose 2: -8.924 kcal/mol
  • Pose 3: -8.908 kcal/mol
  • Pose 4: -8.856 kcal/mol
  • Pose 5: -8.742 kcal/mol
  • Pose 6: -8.721 kcal/mol
  • Pose 7: -8.622 kcal/mol
  • Pose 8: -8.577 kcal/mol
  • Pose 9: -8.517 kcal/mol
CHEMBL236719_dpp4
Energy Plot
RMSD Scatter Plot