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

Docking Result

CHEMBL399499_dpp4

Atoms: 270
Models: 9
Best Energy: -8.566 kcal/mol

Binding Energies:
  • Pose 1: -8.566 kcal/mol
  • Pose 2: -8.218 kcal/mol
  • Pose 3: -8.15 kcal/mol
  • Pose 4: -8.047 kcal/mol
  • Pose 5: -7.955 kcal/mol
  • Pose 6: -7.749 kcal/mol
  • Pose 7: -7.62 kcal/mol
  • Pose 8: -7.537 kcal/mol
  • Pose 9: -7.521 kcal/mol
CHEMBL399499_dpp4
Energy Plot
RMSD Scatter Plot