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

Docking Result

CHEMBL22511_dpp4

Atoms: 162
Models: 9
Best Energy: -6.336 kcal/mol

Binding Energies:
  • Pose 1: -6.336 kcal/mol
  • Pose 2: -6.317 kcal/mol
  • Pose 3: -6.151 kcal/mol
  • Pose 4: -6.121 kcal/mol
  • Pose 5: -6.066 kcal/mol
  • Pose 6: -6.036 kcal/mol
  • Pose 7: -5.988 kcal/mol
  • Pose 8: -5.909 kcal/mol
  • Pose 9: -5.881 kcal/mol
CHEMBL22511_dpp4
Energy Plot
RMSD Scatter Plot