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

Docking Result

CHEMBL3233572_dpp4

Atoms: 216
Models: 9
Best Energy: -7.653 kcal/mol

Binding Energies:
  • Pose 1: -7.653 kcal/mol
  • Pose 2: -7.594 kcal/mol
  • Pose 3: -7.579 kcal/mol
  • Pose 4: -7.469 kcal/mol
  • Pose 5: -7.381 kcal/mol
  • Pose 6: -7.345 kcal/mol
  • Pose 7: -7.331 kcal/mol
  • Pose 8: -7.33 kcal/mol
  • Pose 9: -7.265 kcal/mol
CHEMBL3233572_dpp4
Energy Plot
RMSD Scatter Plot