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

Docking Result

CHEMBL216383_dpp4

Atoms: 234
Models: 9
Best Energy: -7.638 kcal/mol

Binding Energies:
  • Pose 1: -7.638 kcal/mol
  • Pose 2: -7.263 kcal/mol
  • Pose 3: -6.924 kcal/mol
  • Pose 4: -6.877 kcal/mol
  • Pose 5: -6.855 kcal/mol
  • Pose 6: -6.806 kcal/mol
  • Pose 7: -6.772 kcal/mol
  • Pose 8: -6.596 kcal/mol
  • Pose 9: -6.419 kcal/mol
CHEMBL216383_dpp4
Energy Plot
RMSD Scatter Plot