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

Docking Result

CHEMBL5402025_dpp4

Atoms: 342
Models: 9
Best Energy: -10.668 kcal/mol

Binding Energies:
  • Pose 1: -10.668 kcal/mol
  • Pose 2: -10.601 kcal/mol
  • Pose 3: -9.499 kcal/mol
  • Pose 4: -9.242 kcal/mol
  • Pose 5: -9.158 kcal/mol
  • Pose 6: -8.864 kcal/mol
  • Pose 7: -8.849 kcal/mol
  • Pose 8: -8.826 kcal/mol
  • Pose 9: -8.779 kcal/mol
CHEMBL5402025_dpp4
Energy Plot
RMSD Scatter Plot