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

Docking Result

CHEMBL3233844_dpp4

Atoms: 243
Models: 9
Best Energy: -8.1 kcal/mol

Binding Energies:
  • Pose 1: -8.1 kcal/mol
  • Pose 2: -7.774 kcal/mol
  • Pose 3: -7.674 kcal/mol
  • Pose 4: -7.657 kcal/mol
  • Pose 5: -7.497 kcal/mol
  • Pose 6: -7.489 kcal/mol
  • Pose 7: -7.47 kcal/mol
  • Pose 8: -7.455 kcal/mol
  • Pose 9: -7.404 kcal/mol
CHEMBL3233844_dpp4
Energy Plot
RMSD Scatter Plot