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

Docking Result

CHEMBL3233564_dpp4

Atoms: 180
Models: 9
Best Energy: -6.14 kcal/mol

Binding Energies:
  • Pose 1: -6.14 kcal/mol
  • Pose 2: -6.086 kcal/mol
  • Pose 3: -6.068 kcal/mol
  • Pose 4: -5.951 kcal/mol
  • Pose 5: -5.948 kcal/mol
  • Pose 6: -5.924 kcal/mol
  • Pose 7: -5.883 kcal/mol
  • Pose 8: -5.792 kcal/mol
  • Pose 9: -5.765 kcal/mol
CHEMBL3233564_dpp4
Energy Plot
RMSD Scatter Plot