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

Docking Result

CHEMBL5290055_dpp4

Atoms: 216
Models: 9
Best Energy: -7.119 kcal/mol

Binding Energies:
  • Pose 1: -7.119 kcal/mol
  • Pose 2: -7.056 kcal/mol
  • Pose 3: -6.997 kcal/mol
  • Pose 4: -6.971 kcal/mol
  • Pose 5: -6.769 kcal/mol
  • Pose 6: -6.721 kcal/mol
  • Pose 7: -6.707 kcal/mol
  • Pose 8: -6.666 kcal/mol
  • Pose 9: -6.632 kcal/mol
CHEMBL5290055_dpp4
Energy Plot
RMSD Scatter Plot