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

Docking Result

CHEMBL5278252_dpp4

Atoms: 342
Models: 9
Best Energy: -8.867 kcal/mol

Binding Energies:
  • Pose 1: -8.867 kcal/mol
  • Pose 2: -8.818 kcal/mol
  • Pose 3: -8.667 kcal/mol
  • Pose 4: -8.553 kcal/mol
  • Pose 5: -8.524 kcal/mol
  • Pose 6: -8.479 kcal/mol
  • Pose 7: -8.384 kcal/mol
  • Pose 8: -8.362 kcal/mol
  • Pose 9: -8.305 kcal/mol
CHEMBL5278252_dpp4
Energy Plot
RMSD Scatter Plot