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

Docking Result

CHEMBL379261_dpp4

Atoms: 216
Models: 9
Best Energy: -8.791 kcal/mol

Binding Energies:
  • Pose 1: -8.791 kcal/mol
  • Pose 2: -8.49 kcal/mol
  • Pose 3: -8.38 kcal/mol
  • Pose 4: -8.198 kcal/mol
  • Pose 5: -8.191 kcal/mol
  • Pose 6: -7.895 kcal/mol
  • Pose 7: -7.873 kcal/mol
  • Pose 8: -7.824 kcal/mol
  • Pose 9: -7.808 kcal/mol
CHEMBL379261_dpp4
Energy Plot
RMSD Scatter Plot