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

Docking Result

CHEMBL471841_dpp4

Atoms: 333
Models: 9
Best Energy: -8.763 kcal/mol

Binding Energies:
  • Pose 1: -8.763 kcal/mol
  • Pose 2: -8.677 kcal/mol
  • Pose 3: -8.495 kcal/mol
  • Pose 4: -8.487 kcal/mol
  • Pose 5: -8.406 kcal/mol
  • Pose 6: -8.305 kcal/mol
  • Pose 7: -8.245 kcal/mol
  • Pose 8: -8.236 kcal/mol
  • Pose 9: -8.1 kcal/mol
CHEMBL471841_dpp4
Energy Plot
RMSD Scatter Plot