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

Docking Result

CHEMBL3680628_dpp4

Atoms: 459
Models: 9
Best Energy: -9.725 kcal/mol

Binding Energies:
  • Pose 1: -9.725 kcal/mol
  • Pose 2: -9.597 kcal/mol
  • Pose 3: -9.548 kcal/mol
  • Pose 4: -9.498 kcal/mol
  • Pose 5: -9.467 kcal/mol
  • Pose 6: -9.312 kcal/mol
  • Pose 7: -9.1 kcal/mol
  • Pose 8: -8.988 kcal/mol
  • Pose 9: -8.927 kcal/mol
CHEMBL3680628_dpp4
Energy Plot
RMSD Scatter Plot