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

Docking Result

CHEMBL231151_dpp4

Atoms: 279
Models: 9
Best Energy: -8.267 kcal/mol

Binding Energies:
  • Pose 1: -8.267 kcal/mol
  • Pose 2: -8.242 kcal/mol
  • Pose 3: -8.027 kcal/mol
  • Pose 4: -7.93 kcal/mol
  • Pose 5: -7.603 kcal/mol
  • Pose 6: -7.452 kcal/mol
  • Pose 7: -7.44 kcal/mol
  • Pose 8: -7.297 kcal/mol
  • Pose 9: -7.293 kcal/mol
CHEMBL231151_dpp4
Energy Plot
RMSD Scatter Plot