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

Docking Result

CHEMBL5996478_dpp4

Atoms: 306
Models: 9
Best Energy: -8.714 kcal/mol

Binding Energies:
  • Pose 1: -8.714 kcal/mol
  • Pose 2: -8.709 kcal/mol
  • Pose 3: -8.609 kcal/mol
  • Pose 4: -8.598 kcal/mol
  • Pose 5: -8.473 kcal/mol
  • Pose 6: -8.399 kcal/mol
  • Pose 7: -8.345 kcal/mol
  • Pose 8: -8.087 kcal/mol
  • Pose 9: -7.972 kcal/mol
CHEMBL5996478_dpp4
Energy Plot
RMSD Scatter Plot