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

Docking Result

CHEMBL5768759_dpp4

Atoms: 189
Models: 9
Best Energy: -7.61 kcal/mol

Binding Energies:
  • Pose 1: -7.61 kcal/mol
  • Pose 2: -7.597 kcal/mol
  • Pose 3: -7.195 kcal/mol
  • Pose 4: -7.097 kcal/mol
  • Pose 5: -6.995 kcal/mol
  • Pose 6: -6.953 kcal/mol
  • Pose 7: -6.799 kcal/mol
  • Pose 8: -6.765 kcal/mol
  • Pose 9: -6.68 kcal/mol
CHEMBL5768759_dpp4
Energy Plot
RMSD Scatter Plot