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

Docking Result

CHEMBL515552_dpp4

Atoms: 279
Models: 9
Best Energy: -8.331 kcal/mol

Binding Energies:
  • Pose 1: -8.331 kcal/mol
  • Pose 2: -7.768 kcal/mol
  • Pose 3: -7.127 kcal/mol
  • Pose 4: -7.12 kcal/mol
  • Pose 5: -7.089 kcal/mol
  • Pose 6: -7.035 kcal/mol
  • Pose 7: -6.94 kcal/mol
  • Pose 8: -6.872 kcal/mol
  • Pose 9: -6.734 kcal/mol
CHEMBL515552_dpp4
Energy Plot
RMSD Scatter Plot