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

Docking Result

CHEMBL589598_dpp4

Atoms: 252
Models: 9
Best Energy: -7.404 kcal/mol

Binding Energies:
  • Pose 1: -7.404 kcal/mol
  • Pose 2: -6.997 kcal/mol
  • Pose 3: -6.752 kcal/mol
  • Pose 4: -6.707 kcal/mol
  • Pose 5: -6.642 kcal/mol
  • Pose 6: -6.621 kcal/mol
  • Pose 7: -6.471 kcal/mol
  • Pose 8: -6.306 kcal/mol
  • Pose 9: -6.294 kcal/mol
CHEMBL589598_dpp4
Energy Plot
RMSD Scatter Plot