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

Docking Result

CHEMBL2147713_dpp4

Atoms: 288
Models: 9
Best Energy: -8.101 kcal/mol

Binding Energies:
  • Pose 1: -8.101 kcal/mol
  • Pose 2: -7.967 kcal/mol
  • Pose 3: -7.794 kcal/mol
  • Pose 4: -7.435 kcal/mol
  • Pose 5: -7.313 kcal/mol
  • Pose 6: -7.226 kcal/mol
  • Pose 7: -7.202 kcal/mol
  • Pose 8: -7.004 kcal/mol
  • Pose 9: -6.872 kcal/mol
CHEMBL2147713_dpp4
Energy Plot
RMSD Scatter Plot