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

Docking Result

CHEMBL463481_dpp4

Atoms: 270
Models: 9
Best Energy: -8.123 kcal/mol

Binding Energies:
  • Pose 1: -8.123 kcal/mol
  • Pose 2: -7.703 kcal/mol
  • Pose 3: -7.593 kcal/mol
  • Pose 4: -7.152 kcal/mol
  • Pose 5: -6.918 kcal/mol
  • Pose 6: -6.804 kcal/mol
  • Pose 7: -6.765 kcal/mol
  • Pose 8: -6.687 kcal/mol
  • Pose 9: -6.547 kcal/mol
CHEMBL463481_dpp4
Energy Plot
RMSD Scatter Plot