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

Docking Result

CHEMBL345319_dpp4

Atoms: 189
Models: 9
Best Energy: -7.195 kcal/mol

Binding Energies:
  • Pose 1: -7.195 kcal/mol
  • Pose 2: -7.092 kcal/mol
  • Pose 3: -6.807 kcal/mol
  • Pose 4: -6.769 kcal/mol
  • Pose 5: -6.749 kcal/mol
  • Pose 6: -6.621 kcal/mol
  • Pose 7: -6.572 kcal/mol
  • Pose 8: -6.513 kcal/mol
  • Pose 9: -6.444 kcal/mol
CHEMBL345319_dpp4
Energy Plot
RMSD Scatter Plot