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

Docking Result

CHEMBL1779693_dpp4

Atoms: 279
Models: 9
Best Energy: -8.233 kcal/mol

Binding Energies:
  • Pose 1: -8.233 kcal/mol
  • Pose 2: -8.104 kcal/mol
  • Pose 3: -7.869 kcal/mol
  • Pose 4: -7.864 kcal/mol
  • Pose 5: -7.737 kcal/mol
  • Pose 6: -7.686 kcal/mol
  • Pose 7: -7.649 kcal/mol
  • Pose 8: -7.598 kcal/mol
  • Pose 9: -7.431 kcal/mol
CHEMBL1779693_dpp4
Energy Plot
RMSD Scatter Plot