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

Docking Result

CHEMBL382127_dpp4

Atoms: 135
Models: 9
Best Energy: -6.215 kcal/mol

Binding Energies:
  • Pose 1: -6.215 kcal/mol
  • Pose 2: -6.085 kcal/mol
  • Pose 3: -6.014 kcal/mol
  • Pose 4: -5.892 kcal/mol
  • Pose 5: -5.805 kcal/mol
  • Pose 6: -5.777 kcal/mol
  • Pose 7: -5.455 kcal/mol
  • Pose 8: -5.427 kcal/mol
  • Pose 9: -5.268 kcal/mol
CHEMBL382127_dpp4
Energy Plot
RMSD Scatter Plot