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

Docking Result

CHEMBL397743_dpp4

Atoms: 288
Models: 9
Best Energy: -7.376 kcal/mol

Binding Energies:
  • Pose 1: -7.376 kcal/mol
  • Pose 2: -7.36 kcal/mol
  • Pose 3: -7.359 kcal/mol
  • Pose 4: -7.32 kcal/mol
  • Pose 5: -7.316 kcal/mol
  • Pose 6: -7.29 kcal/mol
  • Pose 7: -7.281 kcal/mol
  • Pose 8: -7.247 kcal/mol
  • Pose 9: -7.227 kcal/mol
CHEMBL397743_dpp4
Energy Plot
RMSD Scatter Plot