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

Docking Result

CHEMBL3644802_dpp4

Atoms: 306
Models: 9
Best Energy: -8.265 kcal/mol

Binding Energies:
  • Pose 1: -8.265 kcal/mol
  • Pose 2: -8.133 kcal/mol
  • Pose 3: -8.077 kcal/mol
  • Pose 4: -7.918 kcal/mol
  • Pose 5: -7.912 kcal/mol
  • Pose 6: -7.817 kcal/mol
  • Pose 7: -7.655 kcal/mol
  • Pose 8: -7.474 kcal/mol
  • Pose 9: -7.443 kcal/mol
CHEMBL3644802_dpp4
Energy Plot
RMSD Scatter Plot