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

Docking Result

CHEMBL2069855_dpp4

Atoms: 315
Models: 9
Best Energy: -8.757 kcal/mol

Binding Energies:
  • Pose 1: -8.757 kcal/mol
  • Pose 2: -8.606 kcal/mol
  • Pose 3: -8.412 kcal/mol
  • Pose 4: -8.326 kcal/mol
  • Pose 5: -8.152 kcal/mol
  • Pose 6: -8.13 kcal/mol
  • Pose 7: -8.033 kcal/mol
  • Pose 8: -8.009 kcal/mol
  • Pose 9: -7.976 kcal/mol
CHEMBL2069855_dpp4
Energy Plot
RMSD Scatter Plot