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

Docking Result

CHEMBL425200_dpp4

Atoms: 297
Models: 9
Best Energy: -8.797 kcal/mol

Binding Energies:
  • Pose 1: -8.797 kcal/mol
  • Pose 2: -8.583 kcal/mol
  • Pose 3: -8.485 kcal/mol
  • Pose 4: -8.179 kcal/mol
  • Pose 5: -8.153 kcal/mol
  • Pose 6: -8.143 kcal/mol
  • Pose 7: -7.972 kcal/mol
  • Pose 8: -7.767 kcal/mol
  • Pose 9: -7.756 kcal/mol
CHEMBL425200_dpp4
Energy Plot
RMSD Scatter Plot