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

Docking Result

CHEMBL2147772_dpp4

Atoms: 279
Models: 9
Best Energy: -8.332 kcal/mol

Binding Energies:
  • Pose 1: -8.332 kcal/mol
  • Pose 2: -8.187 kcal/mol
  • Pose 3: -7.987 kcal/mol
  • Pose 4: -7.944 kcal/mol
  • Pose 5: -7.867 kcal/mol
  • Pose 6: -7.853 kcal/mol
  • Pose 7: -7.736 kcal/mol
  • Pose 8: -7.704 kcal/mol
  • Pose 9: -7.553 kcal/mol
CHEMBL2147772_dpp4
Energy Plot
RMSD Scatter Plot