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

Docking Result

CHEMBL385394_dpp4

Atoms: 252
Models: 9
Best Energy: -8.328 kcal/mol

Binding Energies:
  • Pose 1: -8.328 kcal/mol
  • Pose 2: -7.195 kcal/mol
  • Pose 3: -7.087 kcal/mol
  • Pose 4: -6.923 kcal/mol
  • Pose 5: -6.921 kcal/mol
  • Pose 6: -6.874 kcal/mol
  • Pose 7: -6.855 kcal/mol
  • Pose 8: -6.836 kcal/mol
  • Pose 9: -6.721 kcal/mol
CHEMBL385394_dpp4
Energy Plot
RMSD Scatter Plot