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

Docking Result

CHEMBL567727_dpp4

Atoms: 297
Models: 9
Best Energy: -9.082 kcal/mol

Binding Energies:
  • Pose 1: -9.082 kcal/mol
  • Pose 2: -8.912 kcal/mol
  • Pose 3: -8.761 kcal/mol
  • Pose 4: -8.551 kcal/mol
  • Pose 5: -8.533 kcal/mol
  • Pose 6: -8.448 kcal/mol
  • Pose 7: -8.356 kcal/mol
  • Pose 8: -8.309 kcal/mol
  • Pose 9: -8.303 kcal/mol
CHEMBL567727_dpp4
Energy Plot
RMSD Scatter Plot