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

Docking Result

CHEMBL5826806_dpp4

Atoms: 261
Models: 9
Best Energy: -8.07 kcal/mol

Binding Energies:
  • Pose 1: -8.07 kcal/mol
  • Pose 2: -8.034 kcal/mol
  • Pose 3: -7.932 kcal/mol
  • Pose 4: -7.352 kcal/mol
  • Pose 5: -7.165 kcal/mol
  • Pose 6: -7.109 kcal/mol
  • Pose 7: -7.077 kcal/mol
  • Pose 8: -7.065 kcal/mol
  • Pose 9: -6.976 kcal/mol
CHEMBL5826806_dpp4
Energy Plot
RMSD Scatter Plot