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

Docking Result

CHEMBL192983_dpp4

Atoms: 152
Models: 8
Best Energy: -5.976 kcal/mol

Binding Energies:
  • Pose 1: -5.976 kcal/mol
  • Pose 2: -5.947 kcal/mol
  • Pose 3: -5.92 kcal/mol
  • Pose 4: -5.867 kcal/mol
  • Pose 5: -5.652 kcal/mol
  • Pose 6: -5.646 kcal/mol
  • Pose 7: -5.396 kcal/mol
  • Pose 8: -5.292 kcal/mol
CHEMBL192983_dpp4
Energy Plot
RMSD Scatter Plot