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

Docking Result

CHEMBL281561_dpp4

Atoms: 306
Models: 9
Best Energy: -8.416 kcal/mol

Binding Energies:
  • Pose 1: -8.416 kcal/mol
  • Pose 2: -8.379 kcal/mol
  • Pose 3: -8.02 kcal/mol
  • Pose 4: -8.015 kcal/mol
  • Pose 5: -7.911 kcal/mol
  • Pose 6: -7.889 kcal/mol
  • Pose 7: -7.853 kcal/mol
  • Pose 8: -7.702 kcal/mol
  • Pose 9: -7.677 kcal/mol
CHEMBL281561_dpp4
Energy Plot
RMSD Scatter Plot