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

Docking Result

CHEMBL255862_dpp4

Atoms: 333
Models: 9
Best Energy: -8.769 kcal/mol

Binding Energies:
  • Pose 1: -8.769 kcal/mol
  • Pose 2: -8.509 kcal/mol
  • Pose 3: -8.444 kcal/mol
  • Pose 4: -8.416 kcal/mol
  • Pose 5: -8.386 kcal/mol
  • Pose 6: -8.237 kcal/mol
  • Pose 7: -8.164 kcal/mol
  • Pose 8: -8.13 kcal/mol
  • Pose 9: -8.066 kcal/mol
CHEMBL255862_dpp4
Energy Plot
RMSD Scatter Plot