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

Docking Result

CHEMBL469891_dpp4

Atoms: 180
Models: 9
Best Energy: -7.22 kcal/mol

Binding Energies:
  • Pose 1: -7.22 kcal/mol
  • Pose 2: -7.066 kcal/mol
  • Pose 3: -6.427 kcal/mol
  • Pose 4: -6.399 kcal/mol
  • Pose 5: -6.366 kcal/mol
  • Pose 6: -6.341 kcal/mol
  • Pose 7: -6.243 kcal/mol
  • Pose 8: -6.158 kcal/mol
  • Pose 9: -6.148 kcal/mol
CHEMBL469891_dpp4
Energy Plot
RMSD Scatter Plot