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

Docking Result

CHEMBL381530_dpp4

Atoms: 225
Models: 9
Best Energy: -7.664 kcal/mol

Binding Energies:
  • Pose 1: -7.664 kcal/mol
  • Pose 2: -7.007 kcal/mol
  • Pose 3: -6.856 kcal/mol
  • Pose 4: -6.72 kcal/mol
  • Pose 5: -6.642 kcal/mol
  • Pose 6: -6.627 kcal/mol
  • Pose 7: -6.624 kcal/mol
  • Pose 8: -6.525 kcal/mol
  • Pose 9: -6.392 kcal/mol
CHEMBL381530_dpp4
Energy Plot
RMSD Scatter Plot