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

Docking Result

CHEMBL1951430_dpp4

Atoms: 333
Models: 9
Best Energy: -9.769 kcal/mol

Binding Energies:
  • Pose 1: -9.769 kcal/mol
  • Pose 2: -8.734 kcal/mol
  • Pose 3: -8.558 kcal/mol
  • Pose 4: -8.47 kcal/mol
  • Pose 5: -8.408 kcal/mol
  • Pose 6: -8.274 kcal/mol
  • Pose 7: -8.265 kcal/mol
  • Pose 8: -7.963 kcal/mol
  • Pose 9: -7.941 kcal/mol
CHEMBL1951430_dpp4
Energy Plot
RMSD Scatter Plot