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

Docking Result

CHEMBL485828_dpp4

Atoms: 252
Models: 9
Best Energy: -7.498 kcal/mol

Binding Energies:
  • Pose 1: -7.498 kcal/mol
  • Pose 2: -7.228 kcal/mol
  • Pose 3: -7.079 kcal/mol
  • Pose 4: -7.048 kcal/mol
  • Pose 5: -7.027 kcal/mol
  • Pose 6: -6.841 kcal/mol
  • Pose 7: -6.73 kcal/mol
  • Pose 8: -6.713 kcal/mol
  • Pose 9: -6.707 kcal/mol
CHEMBL485828_dpp4
Energy Plot
RMSD Scatter Plot