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

Docking Result

CHEMBL1951604_dpp4

Atoms: 342
Models: 9
Best Energy: -8.859 kcal/mol

Binding Energies:
  • Pose 1: -8.859 kcal/mol
  • Pose 2: -8.761 kcal/mol
  • Pose 3: -8.428 kcal/mol
  • Pose 4: -8.015 kcal/mol
  • Pose 5: -7.985 kcal/mol
  • Pose 6: -7.943 kcal/mol
  • Pose 7: -7.918 kcal/mol
  • Pose 8: -7.887 kcal/mol
  • Pose 9: -7.815 kcal/mol
CHEMBL1951604_dpp4
Energy Plot
RMSD Scatter Plot