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

Docking Result

CHEMBL169204_dpp4

Atoms: 279
Models: 9
Best Energy: -7.916 kcal/mol

Binding Energies:
  • Pose 1: -7.916 kcal/mol
  • Pose 2: -7.871 kcal/mol
  • Pose 3: -7.782 kcal/mol
  • Pose 4: -7.703 kcal/mol
  • Pose 5: -7.607 kcal/mol
  • Pose 6: -7.491 kcal/mol
  • Pose 7: -7.349 kcal/mol
  • Pose 8: -7.285 kcal/mol
  • Pose 9: -7.178 kcal/mol
CHEMBL169204_dpp4
Energy Plot
RMSD Scatter Plot