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

Docking Result

CHEMBL184928_dpp4

Atoms: 189
Models: 9
Best Energy: -6.811 kcal/mol

Binding Energies:
  • Pose 1: -6.811 kcal/mol
  • Pose 2: -6.679 kcal/mol
  • Pose 3: -6.648 kcal/mol
  • Pose 4: -6.441 kcal/mol
  • Pose 5: -6.225 kcal/mol
  • Pose 6: -6.215 kcal/mol
  • Pose 7: -6.084 kcal/mol
  • Pose 8: -6.052 kcal/mol
  • Pose 9: -5.943 kcal/mol
CHEMBL184928_dpp4
Energy Plot
RMSD Scatter Plot