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

Docking Result

CHEMBL472976_dpp4

Atoms: 279
Models: 9
Best Energy: -8.222 kcal/mol

Binding Energies:
  • Pose 1: -8.222 kcal/mol
  • Pose 2: -7.319 kcal/mol
  • Pose 3: -6.924 kcal/mol
  • Pose 4: -6.818 kcal/mol
  • Pose 5: -6.763 kcal/mol
  • Pose 6: -6.762 kcal/mol
  • Pose 7: -6.76 kcal/mol
  • Pose 8: -6.524 kcal/mol
  • Pose 9: -6.455 kcal/mol
CHEMBL472976_dpp4
Energy Plot
RMSD Scatter Plot