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

Docking Result

CHEMBL2385293_dpp4

Atoms: 225
Models: 9
Best Energy: -8.376 kcal/mol

Binding Energies:
  • Pose 1: -8.376 kcal/mol
  • Pose 2: -8.265 kcal/mol
  • Pose 3: -8.24 kcal/mol
  • Pose 4: -8.176 kcal/mol
  • Pose 5: -8.104 kcal/mol
  • Pose 6: -7.871 kcal/mol
  • Pose 7: -7.778 kcal/mol
  • Pose 8: -7.715 kcal/mol
  • Pose 9: -7.636 kcal/mol
CHEMBL2385293_dpp4
Energy Plot
RMSD Scatter Plot