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

Docking Result

CHEMBL5283277_dpp4

Atoms: 306
Models: 9
Best Energy: -8.747 kcal/mol

Binding Energies:
  • Pose 1: -8.747 kcal/mol
  • Pose 2: -8.683 kcal/mol
  • Pose 3: -8.676 kcal/mol
  • Pose 4: -8.673 kcal/mol
  • Pose 5: -8.398 kcal/mol
  • Pose 6: -8.343 kcal/mol
  • Pose 7: -8.295 kcal/mol
  • Pose 8: -8.293 kcal/mol
  • Pose 9: -8.181 kcal/mol
CHEMBL5283277_dpp4
Energy Plot
RMSD Scatter Plot