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

Docking Result

CHEMBL517072_dpp4

Atoms: 297
Models: 9
Best Energy: -8.034 kcal/mol

Binding Energies:
  • Pose 1: -8.034 kcal/mol
  • Pose 2: -7.932 kcal/mol
  • Pose 3: -7.874 kcal/mol
  • Pose 4: -7.815 kcal/mol
  • Pose 5: -7.752 kcal/mol
  • Pose 6: -7.685 kcal/mol
  • Pose 7: -7.607 kcal/mol
  • Pose 8: -7.588 kcal/mol
  • Pose 9: -7.532 kcal/mol
CHEMBL517072_dpp4
Energy Plot
RMSD Scatter Plot