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

Docking Result

CHEMBL5430588_dpp4

Atoms: 315
Models: 9
Best Energy: -10.166 kcal/mol

Binding Energies:
  • Pose 1: -10.166 kcal/mol
  • Pose 2: -9.908 kcal/mol
  • Pose 3: -9.605 kcal/mol
  • Pose 4: -9.567 kcal/mol
  • Pose 5: -9.078 kcal/mol
  • Pose 6: -8.809 kcal/mol
  • Pose 7: -8.761 kcal/mol
  • Pose 8: -8.596 kcal/mol
  • Pose 9: -8.535 kcal/mol
CHEMBL5430588_dpp4
Energy Plot
RMSD Scatter Plot