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

Docking Result

CHEMBL379086_dpp4

Atoms: 198
Models: 9
Best Energy: -6.788 kcal/mol

Binding Energies:
  • Pose 1: -6.788 kcal/mol
  • Pose 2: -6.573 kcal/mol
  • Pose 3: -6.567 kcal/mol
  • Pose 4: -6.495 kcal/mol
  • Pose 5: -6.461 kcal/mol
  • Pose 6: -6.354 kcal/mol
  • Pose 7: -6.331 kcal/mol
  • Pose 8: -6.235 kcal/mol
  • Pose 9: -6.167 kcal/mol
CHEMBL379086_dpp4
Energy Plot
RMSD Scatter Plot