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

Docking Result

CHEMBL396789_dpp4

Atoms: 297
Models: 9
Best Energy: -8.011 kcal/mol

Binding Energies:
  • Pose 1: -8.011 kcal/mol
  • Pose 2: -7.962 kcal/mol
  • Pose 3: -7.955 kcal/mol
  • Pose 4: -7.886 kcal/mol
  • Pose 5: -7.871 kcal/mol
  • Pose 6: -7.764 kcal/mol
  • Pose 7: -7.688 kcal/mol
  • Pose 8: -7.496 kcal/mol
  • Pose 9: -7.447 kcal/mol
CHEMBL396789_dpp4
Energy Plot
RMSD Scatter Plot