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

Docking Result

CHEMBL5429724_dpp4

Atoms: 288
Models: 9
Best Energy: -8.275 kcal/mol

Binding Energies:
  • Pose 1: -8.275 kcal/mol
  • Pose 2: -8.077 kcal/mol
  • Pose 3: -7.942 kcal/mol
  • Pose 4: -7.656 kcal/mol
  • Pose 5: -7.357 kcal/mol
  • Pose 6: -7.296 kcal/mol
  • Pose 7: -7.233 kcal/mol
  • Pose 8: -7.189 kcal/mol
  • Pose 9: -6.921 kcal/mol
CHEMBL5429724_dpp4
Energy Plot
RMSD Scatter Plot