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

Docking Result

CHEMBL236714_dpp4

Atoms: 279
Models: 9
Best Energy: -8.846 kcal/mol

Binding Energies:
  • Pose 1: -8.846 kcal/mol
  • Pose 2: -8.793 kcal/mol
  • Pose 3: -8.638 kcal/mol
  • Pose 4: -8.511 kcal/mol
  • Pose 5: -8.458 kcal/mol
  • Pose 6: -8.316 kcal/mol
  • Pose 7: -8.264 kcal/mol
  • Pose 8: -8.163 kcal/mol
  • Pose 9: -8.14 kcal/mol
CHEMBL236714_dpp4
Energy Plot
RMSD Scatter Plot