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

Docking Result

CHEMBL3654426_dpp4

Atoms: 288
Models: 9
Best Energy: -5.958 kcal/mol

Binding Energies:
  • Pose 1: -5.958 kcal/mol
  • Pose 2: -5.952 kcal/mol
  • Pose 3: -5.794 kcal/mol
  • Pose 4: -5.749 kcal/mol
  • Pose 5: -5.722 kcal/mol
  • Pose 6: -5.658 kcal/mol
  • Pose 7: -5.654 kcal/mol
  • Pose 8: -5.608 kcal/mol
  • Pose 9: -5.458 kcal/mol
CHEMBL3654426_dpp4
Energy Plot
RMSD Scatter Plot