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

Docking Result

CHEMBL1243402_dpp4

Atoms: 252
Models: 9
Best Energy: -8.735 kcal/mol

Binding Energies:
  • Pose 1: -8.735 kcal/mol
  • Pose 2: -8.435 kcal/mol
  • Pose 3: -8.381 kcal/mol
  • Pose 4: -8.356 kcal/mol
  • Pose 5: -8.351 kcal/mol
  • Pose 6: -8.223 kcal/mol
  • Pose 7: -8.159 kcal/mol
  • Pose 8: -8.025 kcal/mol
  • Pose 9: -7.841 kcal/mol
CHEMBL1243402_dpp4
Energy Plot
RMSD Scatter Plot