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

Docking Result

CHEMBL195063_dpp4

Atoms: 225
Models: 9
Best Energy: -7.141 kcal/mol

Binding Energies:
  • Pose 1: -7.141 kcal/mol
  • Pose 2: -7.089 kcal/mol
  • Pose 3: -7.055 kcal/mol
  • Pose 4: -6.966 kcal/mol
  • Pose 5: -6.898 kcal/mol
  • Pose 6: -6.895 kcal/mol
  • Pose 7: -6.817 kcal/mol
  • Pose 8: -6.732 kcal/mol
  • Pose 9: -6.655 kcal/mol
CHEMBL195063_dpp4
Energy Plot
RMSD Scatter Plot