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

Docking Result

CHEMBL380870_dpp4

Atoms: 198
Models: 9
Best Energy: -7.109 kcal/mol

Binding Energies:
  • Pose 1: -7.109 kcal/mol
  • Pose 2: -7.104 kcal/mol
  • Pose 3: -7.063 kcal/mol
  • Pose 4: -6.792 kcal/mol
  • Pose 5: -6.592 kcal/mol
  • Pose 6: -6.479 kcal/mol
  • Pose 7: -6.435 kcal/mol
  • Pose 8: -6.384 kcal/mol
  • Pose 9: -6.283 kcal/mol
CHEMBL380870_dpp4
Energy Plot
RMSD Scatter Plot