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

Docking Result

CHEMBL218459_dpp4

Atoms: 270
Models: 9
Best Energy: -5.786 kcal/mol

Binding Energies:
  • Pose 1: -5.786 kcal/mol
  • Pose 2: -5.765 kcal/mol
  • Pose 3: -5.65 kcal/mol
  • Pose 4: -5.537 kcal/mol
  • Pose 5: -5.5 kcal/mol
  • Pose 6: -5.5 kcal/mol
  • Pose 7: -5.434 kcal/mol
  • Pose 8: -5.253 kcal/mol
  • Pose 9: -5.19 kcal/mol
CHEMBL218459_dpp4
Energy Plot
RMSD Scatter Plot