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

Docking Result

CHEMBL217015_dpp4

Atoms: 225
Models: 9
Best Energy: -7.487 kcal/mol

Binding Energies:
  • Pose 1: -7.487 kcal/mol
  • Pose 2: -7.337 kcal/mol
  • Pose 3: -7.101 kcal/mol
  • Pose 4: -7.044 kcal/mol
  • Pose 5: -7.033 kcal/mol
  • Pose 6: -6.955 kcal/mol
  • Pose 7: -6.872 kcal/mol
  • Pose 8: -6.765 kcal/mol
  • Pose 9: -6.74 kcal/mol
CHEMBL217015_dpp4
Energy Plot
RMSD Scatter Plot