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

Docking Result

CHEMBL514011_dpp4

Atoms: 261
Models: 9
Best Energy: -7.831 kcal/mol

Binding Energies:
  • Pose 1: -7.831 kcal/mol
  • Pose 2: -7.679 kcal/mol
  • Pose 3: -7.657 kcal/mol
  • Pose 4: -7.528 kcal/mol
  • Pose 5: -7.478 kcal/mol
  • Pose 6: -7.38 kcal/mol
  • Pose 7: -7.368 kcal/mol
  • Pose 8: -7.106 kcal/mol
  • Pose 9: -7.088 kcal/mol
CHEMBL514011_dpp4
Energy Plot
RMSD Scatter Plot