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

Docking Result

CHEMBL519591_dpp4

Atoms: 261
Models: 9
Best Energy: -8.34 kcal/mol

Binding Energies:
  • Pose 1: -8.34 kcal/mol
  • Pose 2: -8.047 kcal/mol
  • Pose 3: -7.986 kcal/mol
  • Pose 4: -7.887 kcal/mol
  • Pose 5: -7.88 kcal/mol
  • Pose 6: -7.821 kcal/mol
  • Pose 7: -7.821 kcal/mol
  • Pose 8: -7.726 kcal/mol
  • Pose 9: -7.601 kcal/mol
CHEMBL519591_dpp4
Energy Plot
RMSD Scatter Plot