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

Docking Result

CHEMBL3735925_dpp4

Atoms: 324
Models: 9
Best Energy: -9.054 kcal/mol

Binding Energies:
  • Pose 1: -9.054 kcal/mol
  • Pose 2: -8.803 kcal/mol
  • Pose 3: -8.419 kcal/mol
  • Pose 4: -8.404 kcal/mol
  • Pose 5: -8.399 kcal/mol
  • Pose 6: -8.355 kcal/mol
  • Pose 7: -8.214 kcal/mol
  • Pose 8: -8.12 kcal/mol
  • Pose 9: -8.117 kcal/mol
CHEMBL3735925_dpp4
Energy Plot
RMSD Scatter Plot