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

Docking Result

CHEMBL366345_dpp4

Atoms: 216
Models: 9
Best Energy: -7.784 kcal/mol

Binding Energies:
  • Pose 1: -7.784 kcal/mol
  • Pose 2: -7.536 kcal/mol
  • Pose 3: -7.493 kcal/mol
  • Pose 4: -7.483 kcal/mol
  • Pose 5: -7.298 kcal/mol
  • Pose 6: -7.193 kcal/mol
  • Pose 7: -7.129 kcal/mol
  • Pose 8: -6.991 kcal/mol
  • Pose 9: -6.957 kcal/mol
CHEMBL366345_dpp4
Energy Plot
RMSD Scatter Plot