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

Docking Result

CHEMBL148025_dpp4

Atoms: 162
Models: 9
Best Energy: -5.837 kcal/mol

Binding Energies:
  • Pose 1: -5.837 kcal/mol
  • Pose 2: -5.821 kcal/mol
  • Pose 3: -5.732 kcal/mol
  • Pose 4: -5.695 kcal/mol
  • Pose 5: -5.503 kcal/mol
  • Pose 6: -5.415 kcal/mol
  • Pose 7: -5.405 kcal/mol
  • Pose 8: -5.36 kcal/mol
  • Pose 9: -5.352 kcal/mol
CHEMBL148025_dpp4
Energy Plot
RMSD Scatter Plot