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

Docking Result

CHEMBL415317_dpp4

Atoms: 234
Models: 9
Best Energy: -6.829 kcal/mol

Binding Energies:
  • Pose 1: -6.829 kcal/mol
  • Pose 2: -6.774 kcal/mol
  • Pose 3: -6.74 kcal/mol
  • Pose 4: -6.717 kcal/mol
  • Pose 5: -6.661 kcal/mol
  • Pose 6: -6.587 kcal/mol
  • Pose 7: -6.511 kcal/mol
  • Pose 8: -6.493 kcal/mol
  • Pose 9: -6.322 kcal/mol
CHEMBL415317_dpp4
Energy Plot
RMSD Scatter Plot