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

Docking Result

CHEMBL224435_dpp4

Atoms: 117
Models: 9
Best Energy: -5.048 kcal/mol

Binding Energies:
  • Pose 1: -5.048 kcal/mol
  • Pose 2: -4.989 kcal/mol
  • Pose 3: -4.905 kcal/mol
  • Pose 4: -4.869 kcal/mol
  • Pose 5: -4.794 kcal/mol
  • Pose 6: -4.682 kcal/mol
  • Pose 7: -4.64 kcal/mol
  • Pose 8: -4.523 kcal/mol
  • Pose 9: -4.458 kcal/mol
CHEMBL224435_dpp4
Energy Plot
RMSD Scatter Plot