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

Docking Result

CHEMBL4176578_dpp4

Atoms: 315
Models: 9
Best Energy: -8.891 kcal/mol

Binding Energies:
  • Pose 1: -8.891 kcal/mol
  • Pose 2: -8.774 kcal/mol
  • Pose 3: -8.707 kcal/mol
  • Pose 4: -8.389 kcal/mol
  • Pose 5: -8.22 kcal/mol
  • Pose 6: -8.203 kcal/mol
  • Pose 7: -8.135 kcal/mol
  • Pose 8: -8.133 kcal/mol
  • Pose 9: -8.02 kcal/mol
CHEMBL4176578_dpp4
Energy Plot
RMSD Scatter Plot