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

Docking Result

CHEMBL1809262_dpp4

Atoms: 279
Models: 9
Best Energy: -8.594 kcal/mol

Binding Energies:
  • Pose 1: -8.594 kcal/mol
  • Pose 2: -7.58 kcal/mol
  • Pose 3: -7.57 kcal/mol
  • Pose 4: -7.352 kcal/mol
  • Pose 5: -7.137 kcal/mol
  • Pose 6: -7.033 kcal/mol
  • Pose 7: -7.002 kcal/mol
  • Pose 8: -6.998 kcal/mol
  • Pose 9: -6.835 kcal/mol
CHEMBL1809262_dpp4
Energy Plot
RMSD Scatter Plot