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

Docking Result

CHEMBL592779_dpp4

Atoms: 252
Models: 9
Best Energy: -7.332 kcal/mol

Binding Energies:
  • Pose 1: -7.332 kcal/mol
  • Pose 2: -7.22 kcal/mol
  • Pose 3: -7.204 kcal/mol
  • Pose 4: -7.072 kcal/mol
  • Pose 5: -7.063 kcal/mol
  • Pose 6: -7.025 kcal/mol
  • Pose 7: -6.988 kcal/mol
  • Pose 8: -6.867 kcal/mol
  • Pose 9: -6.846 kcal/mol
CHEMBL592779_dpp4
Energy Plot
RMSD Scatter Plot