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

Docking Result

CHEMBL1951420_dpp4

Atoms: 315
Models: 9
Best Energy: -9.729 kcal/mol

Binding Energies:
  • Pose 1: -9.729 kcal/mol
  • Pose 2: -8.822 kcal/mol
  • Pose 3: -8.477 kcal/mol
  • Pose 4: -8.341 kcal/mol
  • Pose 5: -8.176 kcal/mol
  • Pose 6: -8.103 kcal/mol
  • Pose 7: -8.056 kcal/mol
  • Pose 8: -8.022 kcal/mol
  • Pose 9: -7.836 kcal/mol
CHEMBL1951420_dpp4
Energy Plot
RMSD Scatter Plot