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

Docking Result

CHEMBL4761281_dpp4

Atoms: 405
Models: 9
Best Energy: -9.31 kcal/mol

Binding Energies:
  • Pose 1: -9.31 kcal/mol
  • Pose 2: -9.232 kcal/mol
  • Pose 3: -9.218 kcal/mol
  • Pose 4: -9.198 kcal/mol
  • Pose 5: -9.139 kcal/mol
  • Pose 6: -9.071 kcal/mol
  • Pose 7: -9.007 kcal/mol
  • Pose 8: -8.995 kcal/mol
  • Pose 9: -8.97 kcal/mol
CHEMBL4761281_dpp4
Energy Plot
RMSD Scatter Plot