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

Docking Result

CHEMBL8916_dpp4

Atoms: 171
Models: 9
Best Energy: -7.124 kcal/mol

Binding Energies:
  • Pose 1: -7.124 kcal/mol
  • Pose 2: -7.12 kcal/mol
  • Pose 3: -7.106 kcal/mol
  • Pose 4: -6.993 kcal/mol
  • Pose 5: -6.981 kcal/mol
  • Pose 6: -6.974 kcal/mol
  • Pose 7: -6.741 kcal/mol
  • Pose 8: -6.698 kcal/mol
  • Pose 9: -6.667 kcal/mol
CHEMBL8916_dpp4
Energy Plot
RMSD Scatter Plot