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

Docking Result

CHEMBL390529_dpp4

Atoms: 279
Models: 9
Best Energy: -8.993 kcal/mol

Binding Energies:
  • Pose 1: -8.993 kcal/mol
  • Pose 2: -8.784 kcal/mol
  • Pose 3: -8.525 kcal/mol
  • Pose 4: -8.474 kcal/mol
  • Pose 5: -8.303 kcal/mol
  • Pose 6: -8.285 kcal/mol
  • Pose 7: -8.261 kcal/mol
  • Pose 8: -8.257 kcal/mol
  • Pose 9: -8.216 kcal/mol
CHEMBL390529_dpp4
Energy Plot
RMSD Scatter Plot