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

Docking Result

CHEMBL3127986_dpp4

Atoms: 180
Models: 9
Best Energy: -6.258 kcal/mol

Binding Energies:
  • Pose 1: -6.258 kcal/mol
  • Pose 2: -6.074 kcal/mol
  • Pose 3: -6.046 kcal/mol
  • Pose 4: -6.04 kcal/mol
  • Pose 5: -5.815 kcal/mol
  • Pose 6: -5.783 kcal/mol
  • Pose 7: -5.771 kcal/mol
  • Pose 8: -5.751 kcal/mol
  • Pose 9: -5.607 kcal/mol
CHEMBL3127986_dpp4
Energy Plot
RMSD Scatter Plot