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

Docking Result

CHEMBL5275046_dpp4

Atoms: 396
Models: 9
Best Energy: -8.918 kcal/mol

Binding Energies:
  • Pose 1: -8.918 kcal/mol
  • Pose 2: -8.916 kcal/mol
  • Pose 3: -8.755 kcal/mol
  • Pose 4: -8.735 kcal/mol
  • Pose 5: -8.666 kcal/mol
  • Pose 6: -8.613 kcal/mol
  • Pose 7: -8.557 kcal/mol
  • Pose 8: -8.532 kcal/mol
  • Pose 9: -8.504 kcal/mol
CHEMBL5275046_dpp4
Energy Plot
RMSD Scatter Plot