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

Docking Result

CHEMBL5290399_dpp4

Atoms: 216
Models: 9
Best Energy: -7.755 kcal/mol

Binding Energies:
  • Pose 1: -7.755 kcal/mol
  • Pose 2: -7.723 kcal/mol
  • Pose 3: -7.541 kcal/mol
  • Pose 4: -7.477 kcal/mol
  • Pose 5: -7.352 kcal/mol
  • Pose 6: -7.333 kcal/mol
  • Pose 7: -7.306 kcal/mol
  • Pose 8: -7.208 kcal/mol
  • Pose 9: -7.194 kcal/mol
CHEMBL5290399_dpp4
Energy Plot
RMSD Scatter Plot