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

Docking Result

CHEMBL4743815_dpp4

Atoms: 315
Models: 9
Best Energy: -8.651 kcal/mol

Binding Energies:
  • Pose 1: -8.651 kcal/mol
  • Pose 2: -8.344 kcal/mol
  • Pose 3: -8.294 kcal/mol
  • Pose 4: -8.284 kcal/mol
  • Pose 5: -8.227 kcal/mol
  • Pose 6: -8.214 kcal/mol
  • Pose 7: -8.211 kcal/mol
  • Pose 8: -8.118 kcal/mol
  • Pose 9: -8.099 kcal/mol
CHEMBL4743815_dpp4
Energy Plot
RMSD Scatter Plot