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

Docking Result

CHEMBL4128601_dpp4

Atoms: 324
Models: 9
Best Energy: -8.813 kcal/mol

Binding Energies:
  • Pose 1: -8.813 kcal/mol
  • Pose 2: -8.587 kcal/mol
  • Pose 3: -8.578 kcal/mol
  • Pose 4: -8.324 kcal/mol
  • Pose 5: -8.259 kcal/mol
  • Pose 6: -8.016 kcal/mol
  • Pose 7: -7.918 kcal/mol
  • Pose 8: -7.899 kcal/mol
  • Pose 9: -7.817 kcal/mol
CHEMBL4128601_dpp4
Energy Plot
RMSD Scatter Plot