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

Docking Result

CHEMBL5857344_dpp4

Atoms: 306
Models: 9
Best Energy: -9.571 kcal/mol

Binding Energies:
  • Pose 1: -9.571 kcal/mol
  • Pose 2: -9.237 kcal/mol
  • Pose 3: -9.085 kcal/mol
  • Pose 4: -8.972 kcal/mol
  • Pose 5: -8.846 kcal/mol
  • Pose 6: -8.824 kcal/mol
  • Pose 7: -8.778 kcal/mol
  • Pose 8: -8.575 kcal/mol
  • Pose 9: -8.529 kcal/mol
CHEMBL5857344_dpp4
Energy Plot
RMSD Scatter Plot