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

Docking Result

CHEMBL5843264_dpp4

Atoms: 306
Models: 9
Best Energy: -8.906 kcal/mol

Binding Energies:
  • Pose 1: -8.906 kcal/mol
  • Pose 2: -8.66 kcal/mol
  • Pose 3: -8.55 kcal/mol
  • Pose 4: -8.359 kcal/mol
  • Pose 5: -8.35 kcal/mol
  • Pose 6: -8.245 kcal/mol
  • Pose 7: -8.16 kcal/mol
  • Pose 8: -8.117 kcal/mol
  • Pose 9: -8.083 kcal/mol
CHEMBL5843264_dpp4
Energy Plot
RMSD Scatter Plot