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

Docking Result

CHEMBL237288_dpp4

Atoms: 306
Models: 9
Best Energy: -8.45 kcal/mol

Binding Energies:
  • Pose 1: -8.45 kcal/mol
  • Pose 2: -8.013 kcal/mol
  • Pose 3: -7.553 kcal/mol
  • Pose 4: -7.528 kcal/mol
  • Pose 5: -7.484 kcal/mol
  • Pose 6: -7.451 kcal/mol
  • Pose 7: -7.34 kcal/mol
  • Pose 8: -7.262 kcal/mol
  • Pose 9: -7.131 kcal/mol
CHEMBL237288_dpp4
Energy Plot
RMSD Scatter Plot