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

Docking Result

CHEMBL497782_dpp4

Atoms: 261
Models: 9
Best Energy: -9.067 kcal/mol

Binding Energies:
  • Pose 1: -9.067 kcal/mol
  • Pose 2: -8.976 kcal/mol
  • Pose 3: -8.344 kcal/mol
  • Pose 4: -8.225 kcal/mol
  • Pose 5: -8.171 kcal/mol
  • Pose 6: -8.039 kcal/mol
  • Pose 7: -7.824 kcal/mol
  • Pose 8: -7.814 kcal/mol
  • Pose 9: -7.711 kcal/mol
CHEMBL497782_dpp4
Energy Plot
RMSD Scatter Plot