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

Docking Result

CHEMBL5285764_dpp4

Atoms: 243
Models: 9
Best Energy: -8.878 kcal/mol

Binding Energies:
  • Pose 1: -8.878 kcal/mol
  • Pose 2: -8.696 kcal/mol
  • Pose 3: -8.604 kcal/mol
  • Pose 4: -8.554 kcal/mol
  • Pose 5: -8.464 kcal/mol
  • Pose 6: -8.071 kcal/mol
  • Pose 7: -8.066 kcal/mol
  • Pose 8: -8.006 kcal/mol
  • Pose 9: -7.881 kcal/mol
CHEMBL5285764_dpp4
Energy Plot
RMSD Scatter Plot