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

Docking Result

CHEMBL5398362_dpp4

Atoms: 405
Models: 9
Best Energy: -11.022 kcal/mol

Binding Energies:
  • Pose 1: -11.022 kcal/mol
  • Pose 2: -9.631 kcal/mol
  • Pose 3: -9.626 kcal/mol
  • Pose 4: -9.459 kcal/mol
  • Pose 5: -9.298 kcal/mol
  • Pose 6: -8.952 kcal/mol
  • Pose 7: -8.912 kcal/mol
  • Pose 8: -8.905 kcal/mol
  • Pose 9: -8.76 kcal/mol
CHEMBL5398362_dpp4
Energy Plot
RMSD Scatter Plot