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

Docking Result

CHEMBL2178966_dpp4

Atoms: 315
Models: 9
Best Energy: -9.541 kcal/mol

Binding Energies:
  • Pose 1: -9.541 kcal/mol
  • Pose 2: -9.229 kcal/mol
  • Pose 3: -8.931 kcal/mol
  • Pose 4: -8.889 kcal/mol
  • Pose 5: -8.874 kcal/mol
  • Pose 6: -8.708 kcal/mol
  • Pose 7: -8.641 kcal/mol
  • Pose 8: -8.538 kcal/mol
  • Pose 9: -8.493 kcal/mol
CHEMBL2178966_dpp4
Energy Plot
RMSD Scatter Plot