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

Docking Result

CHEMBL3233551_dpp4

Atoms: 198
Models: 9
Best Energy: -7.617 kcal/mol

Binding Energies:
  • Pose 1: -7.617 kcal/mol
  • Pose 2: -7.614 kcal/mol
  • Pose 3: -7.574 kcal/mol
  • Pose 4: -7.46 kcal/mol
  • Pose 5: -7.315 kcal/mol
  • Pose 6: -7.307 kcal/mol
  • Pose 7: -7.221 kcal/mol
  • Pose 8: -7.118 kcal/mol
  • Pose 9: -7.042 kcal/mol
CHEMBL3233551_dpp4
Energy Plot
RMSD Scatter Plot