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

Docking Result

CHEMBL2178958_dpp4

Atoms: 252
Models: 9
Best Energy: -8.127 kcal/mol

Binding Energies:
  • Pose 1: -8.127 kcal/mol
  • Pose 2: -7.901 kcal/mol
  • Pose 3: -7.868 kcal/mol
  • Pose 4: -7.694 kcal/mol
  • Pose 5: -7.693 kcal/mol
  • Pose 6: -7.479 kcal/mol
  • Pose 7: -7.347 kcal/mol
  • Pose 8: -7.13 kcal/mol
  • Pose 9: -7.094 kcal/mol
CHEMBL2178958_dpp4
Energy Plot
RMSD Scatter Plot