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

Docking Result

CHEMBL207980_dpp4

Atoms: 216
Models: 9
Best Energy: -8.447 kcal/mol

Binding Energies:
  • Pose 1: -8.447 kcal/mol
  • Pose 2: -8.299 kcal/mol
  • Pose 3: -8.151 kcal/mol
  • Pose 4: -7.702 kcal/mol
  • Pose 5: -7.681 kcal/mol
  • Pose 6: -7.507 kcal/mol
  • Pose 7: -7.48 kcal/mol
  • Pose 8: -7.454 kcal/mol
  • Pose 9: -7.438 kcal/mol
CHEMBL207980_dpp4
Energy Plot
RMSD Scatter Plot