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

Docking Result

CHEMBL566616_dpp4

Atoms: 288
Models: 9
Best Energy: -8.514 kcal/mol

Binding Energies:
  • Pose 1: -8.514 kcal/mol
  • Pose 2: -8.262 kcal/mol
  • Pose 3: -8.127 kcal/mol
  • Pose 4: -8.124 kcal/mol
  • Pose 5: -7.962 kcal/mol
  • Pose 6: -7.785 kcal/mol
  • Pose 7: -7.642 kcal/mol
  • Pose 8: -7.448 kcal/mol
  • Pose 9: -7.414 kcal/mol
CHEMBL566616_dpp4
Energy Plot
RMSD Scatter Plot