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

Docking Result

CHEMBL2022526_dpp4

Atoms: 243
Models: 9
Best Energy: -8.654 kcal/mol

Binding Energies:
  • Pose 1: -8.654 kcal/mol
  • Pose 2: -8.505 kcal/mol
  • Pose 3: -8.359 kcal/mol
  • Pose 4: -8.281 kcal/mol
  • Pose 5: -8.264 kcal/mol
  • Pose 6: -8.26 kcal/mol
  • Pose 7: -8.105 kcal/mol
  • Pose 8: -7.923 kcal/mol
  • Pose 9: -7.877 kcal/mol
CHEMBL2022526_dpp4
Energy Plot
RMSD Scatter Plot