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

Docking Result

CHEMBL5205289_dpp4

Atoms: 297
Models: 9
Best Energy: -7.752 kcal/mol

Binding Energies:
  • Pose 1: -7.752 kcal/mol
  • Pose 2: -7.747 kcal/mol
  • Pose 3: -7.077 kcal/mol
  • Pose 4: -6.994 kcal/mol
  • Pose 5: -6.91 kcal/mol
  • Pose 6: -6.81 kcal/mol
  • Pose 7: -6.801 kcal/mol
  • Pose 8: -6.771 kcal/mol
  • Pose 9: -6.741 kcal/mol
CHEMBL5205289_dpp4
Energy Plot
RMSD Scatter Plot