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

Docking Result

CHEMBL3580780_dpp4

Atoms: 315
Models: 9
Best Energy: -7.096 kcal/mol

Binding Energies:
  • Pose 1: -7.096 kcal/mol
  • Pose 2: -6.669 kcal/mol
  • Pose 3: -6.664 kcal/mol
  • Pose 4: -6.656 kcal/mol
  • Pose 5: -6.648 kcal/mol
  • Pose 6: -6.585 kcal/mol
  • Pose 7: -6.549 kcal/mol
  • Pose 8: -6.46 kcal/mol
  • Pose 9: -6.385 kcal/mol
CHEMBL3580780_dpp4
Energy Plot
RMSD Scatter Plot