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

Docking Result

CHEMBL3425749_dpp4

Atoms: 288
Models: 9
Best Energy: -8.954 kcal/mol

Binding Energies:
  • Pose 1: -8.954 kcal/mol
  • Pose 2: -8.93 kcal/mol
  • Pose 3: -8.753 kcal/mol
  • Pose 4: -8.697 kcal/mol
  • Pose 5: -8.635 kcal/mol
  • Pose 6: -8.57 kcal/mol
  • Pose 7: -8.542 kcal/mol
  • Pose 8: -8.471 kcal/mol
  • Pose 9: -8.443 kcal/mol
CHEMBL3425749_dpp4
Energy Plot
RMSD Scatter Plot