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

Docking Result

CHEMBL1682985_dpp4

Atoms: 315
Models: 9
Best Energy: -8.887 kcal/mol

Binding Energies:
  • Pose 1: -8.887 kcal/mol
  • Pose 2: -8.874 kcal/mol
  • Pose 3: -8.805 kcal/mol
  • Pose 4: -8.746 kcal/mol
  • Pose 5: -8.596 kcal/mol
  • Pose 6: -8.467 kcal/mol
  • Pose 7: -8.422 kcal/mol
  • Pose 8: -7.979 kcal/mol
  • Pose 9: -7.935 kcal/mol
CHEMBL1682985_dpp4
Energy Plot
RMSD Scatter Plot