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

Docking Result

CHEMBL5283810_dpp4

Atoms: 297
Models: 9
Best Energy: -7.986 kcal/mol

Binding Energies:
  • Pose 1: -7.986 kcal/mol
  • Pose 2: -7.906 kcal/mol
  • Pose 3: -7.72 kcal/mol
  • Pose 4: -7.586 kcal/mol
  • Pose 5: -7.58 kcal/mol
  • Pose 6: -7.281 kcal/mol
  • Pose 7: -7.266 kcal/mol
  • Pose 8: -7.18 kcal/mol
  • Pose 9: -7.107 kcal/mol
CHEMBL5283810_dpp4
Energy Plot
RMSD Scatter Plot