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

Docking Result

CHEMBL2425893_dpp4

Atoms: 297
Models: 9
Best Energy: -8.85 kcal/mol

Binding Energies:
  • Pose 1: -8.85 kcal/mol
  • Pose 2: -8.797 kcal/mol
  • Pose 3: -8.72 kcal/mol
  • Pose 4: -8.396 kcal/mol
  • Pose 5: -8.39 kcal/mol
  • Pose 6: -8.374 kcal/mol
  • Pose 7: -8.263 kcal/mol
  • Pose 8: -8.255 kcal/mol
  • Pose 9: -8.23 kcal/mol
CHEMBL2425893_dpp4
Energy Plot
RMSD Scatter Plot