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

Docking Result

CHEMBL5965812_dpp4

Atoms: 333
Models: 9
Best Energy: -9.976 kcal/mol

Binding Energies:
  • Pose 1: -9.976 kcal/mol
  • Pose 2: -9.328 kcal/mol
  • Pose 3: -9.161 kcal/mol
  • Pose 4: -9.026 kcal/mol
  • Pose 5: -8.997 kcal/mol
  • Pose 6: -8.825 kcal/mol
  • Pose 7: -8.672 kcal/mol
  • Pose 8: -8.611 kcal/mol
  • Pose 9: -8.528 kcal/mol
CHEMBL5965812_dpp4
Energy Plot
RMSD Scatter Plot