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

Docking Result

CHEMBL191775_dpp4

Atoms: 135
Models: 9
Best Energy: -5.491 kcal/mol

Binding Energies:
  • Pose 1: -5.491 kcal/mol
  • Pose 2: -5.254 kcal/mol
  • Pose 3: -5.152 kcal/mol
  • Pose 4: -5.062 kcal/mol
  • Pose 5: -4.951 kcal/mol
  • Pose 6: -4.717 kcal/mol
  • Pose 7: -4.611 kcal/mol
  • Pose 8: -4.51 kcal/mol
  • Pose 9: -4.458 kcal/mol
CHEMBL191775_dpp4
Energy Plot
RMSD Scatter Plot