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

Docking Result

CHEMBL5218500_dpp4

Atoms: 216
Models: 9
Best Energy: -6.31 kcal/mol

Binding Energies:
  • Pose 1: -6.31 kcal/mol
  • Pose 2: -6.193 kcal/mol
  • Pose 3: -6.124 kcal/mol
  • Pose 4: -6.086 kcal/mol
  • Pose 5: -5.925 kcal/mol
  • Pose 6: -5.826 kcal/mol
  • Pose 7: -5.817 kcal/mol
  • Pose 8: -5.774 kcal/mol
  • Pose 9: -5.737 kcal/mol
CHEMBL5218500_dpp4
Energy Plot
RMSD Scatter Plot