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

Docking Result

CHEMBL475573_dpp4

Atoms: 270
Models: 9
Best Energy: -8.774 kcal/mol

Binding Energies:
  • Pose 1: -8.774 kcal/mol
  • Pose 2: -8.688 kcal/mol
  • Pose 3: -8.493 kcal/mol
  • Pose 4: -8.478 kcal/mol
  • Pose 5: -8.461 kcal/mol
  • Pose 6: -8.2 kcal/mol
  • Pose 7: -8.135 kcal/mol
  • Pose 8: -8.109 kcal/mol
  • Pose 9: -7.717 kcal/mol
CHEMBL475573_dpp4
Energy Plot
RMSD Scatter Plot