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

Docking Result

CHEMBL405786_dpp4

Atoms: 189
Models: 9
Best Energy: -6.972 kcal/mol

Binding Energies:
  • Pose 1: -6.972 kcal/mol
  • Pose 2: -6.911 kcal/mol
  • Pose 3: -6.905 kcal/mol
  • Pose 4: -6.597 kcal/mol
  • Pose 5: -6.494 kcal/mol
  • Pose 6: -6.424 kcal/mol
  • Pose 7: -6.382 kcal/mol
  • Pose 8: -6.31 kcal/mol
  • Pose 9: -6.189 kcal/mol
CHEMBL405786_dpp4
Energy Plot
RMSD Scatter Plot