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

Docking Result

CHEMBL511785_dpp4

Atoms: 207
Models: 9
Best Energy: -8.232 kcal/mol

Binding Energies:
  • Pose 1: -8.232 kcal/mol
  • Pose 2: -7.933 kcal/mol
  • Pose 3: -7.832 kcal/mol
  • Pose 4: -7.584 kcal/mol
  • Pose 5: -7.565 kcal/mol
  • Pose 6: -7.501 kcal/mol
  • Pose 7: -7.359 kcal/mol
  • Pose 8: -7.345 kcal/mol
  • Pose 9: -7.105 kcal/mol
CHEMBL511785_dpp4
Energy Plot
RMSD Scatter Plot