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

Docking Result

CHEMBL400954_dpp4

Atoms: 279
Models: 9
Best Energy: -8.522 kcal/mol

Binding Energies:
  • Pose 1: -8.522 kcal/mol
  • Pose 2: -8.071 kcal/mol
  • Pose 3: -8.012 kcal/mol
  • Pose 4: -7.981 kcal/mol
  • Pose 5: -7.836 kcal/mol
  • Pose 6: -7.798 kcal/mol
  • Pose 7: -7.708 kcal/mol
  • Pose 8: -7.688 kcal/mol
  • Pose 9: -7.649 kcal/mol
CHEMBL400954_dpp4
Energy Plot
RMSD Scatter Plot