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

Docking Result

CHEMBL1650430_dpp4

Atoms: 225
Models: 9
Best Energy: -7.05 kcal/mol

Binding Energies:
  • Pose 1: -7.05 kcal/mol
  • Pose 2: -7.034 kcal/mol
  • Pose 3: -6.795 kcal/mol
  • Pose 4: -6.537 kcal/mol
  • Pose 5: -6.514 kcal/mol
  • Pose 6: -6.507 kcal/mol
  • Pose 7: -6.467 kcal/mol
  • Pose 8: -6.306 kcal/mol
  • Pose 9: -6.286 kcal/mol
CHEMBL1650430_dpp4
Energy Plot
RMSD Scatter Plot