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

Docking Result

CHEMBL488227_dpp4

Atoms: 279
Models: 9
Best Energy: -8.187 kcal/mol

Binding Energies:
  • Pose 1: -8.187 kcal/mol
  • Pose 2: -7.949 kcal/mol
  • Pose 3: -7.849 kcal/mol
  • Pose 4: -7.721 kcal/mol
  • Pose 5: -7.65 kcal/mol
  • Pose 6: -7.643 kcal/mol
  • Pose 7: -7.64 kcal/mol
  • Pose 8: -7.337 kcal/mol
  • Pose 9: -7.236 kcal/mol
CHEMBL488227_dpp4
Energy Plot
RMSD Scatter Plot