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

Docking Result

CHEMBL3084951_dpp4

Atoms: 297
Models: 9
Best Energy: -9.123 kcal/mol

Binding Energies:
  • Pose 1: -9.123 kcal/mol
  • Pose 2: -8.918 kcal/mol
  • Pose 3: -8.798 kcal/mol
  • Pose 4: -8.42 kcal/mol
  • Pose 5: -8.399 kcal/mol
  • Pose 6: -8.313 kcal/mol
  • Pose 7: -8.305 kcal/mol
  • Pose 8: -8.29 kcal/mol
  • Pose 9: -8.289 kcal/mol
CHEMBL3084951_dpp4
Energy Plot
RMSD Scatter Plot