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

Docking Result

CHEMBL1681802_dpp4

Atoms: 288
Models: 9
Best Energy: -8.972 kcal/mol

Binding Energies:
  • Pose 1: -8.972 kcal/mol
  • Pose 2: -8.733 kcal/mol
  • Pose 3: -8.642 kcal/mol
  • Pose 4: -8.375 kcal/mol
  • Pose 5: -8.349 kcal/mol
  • Pose 6: -8.22 kcal/mol
  • Pose 7: -8.201 kcal/mol
  • Pose 8: -8.159 kcal/mol
  • Pose 9: -7.825 kcal/mol
CHEMBL1681802_dpp4
Energy Plot
RMSD Scatter Plot