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

Docking Result

CHEMBL4297435_dpp4

Atoms: 306
Models: 9
Best Energy: -8.178 kcal/mol

Binding Energies:
  • Pose 1: -8.178 kcal/mol
  • Pose 2: -8.162 kcal/mol
  • Pose 3: -7.855 kcal/mol
  • Pose 4: -7.696 kcal/mol
  • Pose 5: -7.648 kcal/mol
  • Pose 6: -7.496 kcal/mol
  • Pose 7: -7.447 kcal/mol
  • Pose 8: -7.416 kcal/mol
  • Pose 9: -7.379 kcal/mol
CHEMBL4297435_dpp4
Energy Plot
RMSD Scatter Plot