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

Docking Result

CHEMBL1682981_dpp4

Atoms: 315
Models: 9
Best Energy: -8.722 kcal/mol

Binding Energies:
  • Pose 1: -8.722 kcal/mol
  • Pose 2: -8.136 kcal/mol
  • Pose 3: -8.071 kcal/mol
  • Pose 4: -7.994 kcal/mol
  • Pose 5: -7.97 kcal/mol
  • Pose 6: -7.945 kcal/mol
  • Pose 7: -7.934 kcal/mol
  • Pose 8: -7.859 kcal/mol
  • Pose 9: -7.849 kcal/mol
CHEMBL1682981_dpp4
Energy Plot
RMSD Scatter Plot