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

Docking Result

CHEMBL2206472_dpp4

Atoms: 333
Models: 9
Best Energy: -9.502 kcal/mol

Binding Energies:
  • Pose 1: -9.502 kcal/mol
  • Pose 2: -9.389 kcal/mol
  • Pose 3: -9.074 kcal/mol
  • Pose 4: -9.069 kcal/mol
  • Pose 5: -9.067 kcal/mol
  • Pose 6: -9.066 kcal/mol
  • Pose 7: -8.891 kcal/mol
  • Pose 8: -8.802 kcal/mol
  • Pose 9: -8.743 kcal/mol
CHEMBL2206472_dpp4
Energy Plot
RMSD Scatter Plot