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

Docking Result

CHEMBL3357773_dpp4

Atoms: 324
Models: 9
Best Energy: -8.891 kcal/mol

Binding Energies:
  • Pose 1: -8.891 kcal/mol
  • Pose 2: -8.752 kcal/mol
  • Pose 3: -8.747 kcal/mol
  • Pose 4: -8.69 kcal/mol
  • Pose 5: -8.592 kcal/mol
  • Pose 6: -8.59 kcal/mol
  • Pose 7: -8.489 kcal/mol
  • Pose 8: -8.394 kcal/mol
  • Pose 9: -8.38 kcal/mol
CHEMBL3357773_dpp4
Energy Plot
RMSD Scatter Plot