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

Docking Result

CHEMBL4859630_dpp4

Atoms: 351
Models: 9
Best Energy: -9.125 kcal/mol

Binding Energies:
  • Pose 1: -9.125 kcal/mol
  • Pose 2: -8.721 kcal/mol
  • Pose 3: -8.434 kcal/mol
  • Pose 4: -8.387 kcal/mol
  • Pose 5: -7.949 kcal/mol
  • Pose 6: -7.889 kcal/mol
  • Pose 7: -7.805 kcal/mol
  • Pose 8: -7.784 kcal/mol
  • Pose 9: -7.721 kcal/mol
CHEMBL4859630_dpp4
Energy Plot
RMSD Scatter Plot