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

Docking Result

CHEMBL4245414_dpp4

Atoms: 225
Models: 9
Best Energy: -7.33 kcal/mol

Binding Energies:
  • Pose 1: -7.33 kcal/mol
  • Pose 2: -7.262 kcal/mol
  • Pose 3: -7.221 kcal/mol
  • Pose 4: -7.162 kcal/mol
  • Pose 5: -7.046 kcal/mol
  • Pose 6: -7.03 kcal/mol
  • Pose 7: -7.013 kcal/mol
  • Pose 8: -6.939 kcal/mol
  • Pose 9: -6.875 kcal/mol
CHEMBL4245414_dpp4
Energy Plot
RMSD Scatter Plot