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

Docking Result

CHEMBL6160148_dpp4

Atoms: 432
Models: 9
Best Energy: -8.863 kcal/mol

Binding Energies:
  • Pose 1: -8.863 kcal/mol
  • Pose 2: -8.19 kcal/mol
  • Pose 3: -8.166 kcal/mol
  • Pose 4: -8 kcal/mol
  • Pose 5: -7.97 kcal/mol
  • Pose 6: -7.887 kcal/mol
  • Pose 7: -7.838 kcal/mol
  • Pose 8: -7.808 kcal/mol
  • Pose 9: -7.735 kcal/mol
CHEMBL6160148_dpp4
Energy Plot
RMSD Scatter Plot