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

Docking Result

CHEMBL1683104_dpp4

Atoms: 261
Models: 9
Best Energy: -8.359 kcal/mol

Binding Energies:
  • Pose 1: -8.359 kcal/mol
  • Pose 2: -8.338 kcal/mol
  • Pose 3: -7.881 kcal/mol
  • Pose 4: -7.86 kcal/mol
  • Pose 5: -7.758 kcal/mol
  • Pose 6: -7.651 kcal/mol
  • Pose 7: -7.503 kcal/mol
  • Pose 8: -7.442 kcal/mol
  • Pose 9: -7.375 kcal/mol
CHEMBL1683104_dpp4
Energy Plot
RMSD Scatter Plot