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

Docking Result

CHEMBL2425063_dpp4

Atoms: 270
Models: 9
Best Energy: -8.882 kcal/mol

Binding Energies:
  • Pose 1: -8.882 kcal/mol
  • Pose 2: -8.599 kcal/mol
  • Pose 3: -7.817 kcal/mol
  • Pose 4: -7.724 kcal/mol
  • Pose 5: -7.694 kcal/mol
  • Pose 6: -7.649 kcal/mol
  • Pose 7: -7.592 kcal/mol
  • Pose 8: -7.503 kcal/mol
  • Pose 9: -6.999 kcal/mol
CHEMBL2425063_dpp4
Energy Plot
RMSD Scatter Plot