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

Docking Result

CHEMBL1243153_dpp4

Atoms: 270
Models: 9
Best Energy: -9.843 kcal/mol

Binding Energies:
  • Pose 1: -9.843 kcal/mol
  • Pose 2: -9.399 kcal/mol
  • Pose 3: -9.374 kcal/mol
  • Pose 4: -9.372 kcal/mol
  • Pose 5: -9.232 kcal/mol
  • Pose 6: -9.039 kcal/mol
  • Pose 7: -8.463 kcal/mol
  • Pose 8: -8.431 kcal/mol
  • Pose 9: -8.413 kcal/mol
CHEMBL1243153_dpp4
Energy Plot
RMSD Scatter Plot