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

Docking Result

CHEMBL377058_dpp4

Atoms: 189
Models: 9
Best Energy: -6.968 kcal/mol

Binding Energies:
  • Pose 1: -6.968 kcal/mol
  • Pose 2: -6.75 kcal/mol
  • Pose 3: -6.661 kcal/mol
  • Pose 4: -6.63 kcal/mol
  • Pose 5: -6.606 kcal/mol
  • Pose 6: -6.597 kcal/mol
  • Pose 7: -6.594 kcal/mol
  • Pose 8: -6.496 kcal/mol
  • Pose 9: -6.445 kcal/mol
CHEMBL377058_dpp4
Energy Plot
RMSD Scatter Plot