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

Docking Result

CHEMBL472123_dpp4

Atoms: 234
Models: 9
Best Energy: -8.703 kcal/mol

Binding Energies:
  • Pose 1: -8.703 kcal/mol
  • Pose 2: -8.656 kcal/mol
  • Pose 3: -8.064 kcal/mol
  • Pose 4: -8.05 kcal/mol
  • Pose 5: -7.52 kcal/mol
  • Pose 6: -7.515 kcal/mol
  • Pose 7: -7.503 kcal/mol
  • Pose 8: -7.287 kcal/mol
  • Pose 9: -7.264 kcal/mol
CHEMBL472123_dpp4
Energy Plot
RMSD Scatter Plot