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

Docking Result

CHEMBL3127984_dpp4

Atoms: 180
Models: 9
Best Energy: -6.454 kcal/mol

Binding Energies:
  • Pose 1: -6.454 kcal/mol
  • Pose 2: -6.242 kcal/mol
  • Pose 3: -6.19 kcal/mol
  • Pose 4: -6.051 kcal/mol
  • Pose 5: -5.937 kcal/mol
  • Pose 6: -5.932 kcal/mol
  • Pose 7: -5.774 kcal/mol
  • Pose 8: -5.765 kcal/mol
  • Pose 9: -5.753 kcal/mol
CHEMBL3127984_dpp4
Energy Plot
RMSD Scatter Plot