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

Docking Result

CHEMBL175872_dpp4

Atoms: 261
Models: 9
Best Energy: -8.422 kcal/mol

Binding Energies:
  • Pose 1: -8.422 kcal/mol
  • Pose 2: -8.397 kcal/mol
  • Pose 3: -8.117 kcal/mol
  • Pose 4: -8.024 kcal/mol
  • Pose 5: -8.019 kcal/mol
  • Pose 6: -7.946 kcal/mol
  • Pose 7: -7.905 kcal/mol
  • Pose 8: -7.858 kcal/mol
  • Pose 9: -7.698 kcal/mol
CHEMBL175872_dpp4
Energy Plot
RMSD Scatter Plot