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

Docking Result

CHEMBL385711_dpp4

Atoms: 261
Models: 9
Best Energy: -6.039 kcal/mol

Binding Energies:
  • Pose 1: -6.039 kcal/mol
  • Pose 2: -5.991 kcal/mol
  • Pose 3: -5.736 kcal/mol
  • Pose 4: -5.662 kcal/mol
  • Pose 5: -5.576 kcal/mol
  • Pose 6: -5.531 kcal/mol
  • Pose 7: -5.519 kcal/mol
  • Pose 8: -5.515 kcal/mol
  • Pose 9: -5.051 kcal/mol
CHEMBL385711_dpp4
Energy Plot
RMSD Scatter Plot