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

Docking Result

CHEMBL145813_dpp4

Atoms: 189
Models: 9
Best Energy: -5.877 kcal/mol

Binding Energies:
  • Pose 1: -5.877 kcal/mol
  • Pose 2: -5.865 kcal/mol
  • Pose 3: -5.651 kcal/mol
  • Pose 4: -5.582 kcal/mol
  • Pose 5: -5.567 kcal/mol
  • Pose 6: -5.55 kcal/mol
  • Pose 7: -5.502 kcal/mol
  • Pose 8: -5.446 kcal/mol
  • Pose 9: -5.073 kcal/mol
CHEMBL145813_dpp4
Energy Plot
RMSD Scatter Plot