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

Docking Result

CHEMBL2011534_dpp4

Atoms: 342
Models: 9
Best Energy: -9.698 kcal/mol

Binding Energies:
  • Pose 1: -9.698 kcal/mol
  • Pose 2: -9.303 kcal/mol
  • Pose 3: -9.25 kcal/mol
  • Pose 4: -9.209 kcal/mol
  • Pose 5: -9.055 kcal/mol
  • Pose 6: -8.844 kcal/mol
  • Pose 7: -8.791 kcal/mol
  • Pose 8: -8.753 kcal/mol
  • Pose 9: -8.534 kcal/mol
CHEMBL2011534_dpp4
Energy Plot
RMSD Scatter Plot