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

Docking Result

CHEMBL3915044_dpp4

Atoms: 405
Models: 9
Best Energy: -8.74 kcal/mol

Binding Energies:
  • Pose 1: -8.74 kcal/mol
  • Pose 2: -8.692 kcal/mol
  • Pose 3: -8.464 kcal/mol
  • Pose 4: -8.459 kcal/mol
  • Pose 5: -8.415 kcal/mol
  • Pose 6: -8.304 kcal/mol
  • Pose 7: -8.202 kcal/mol
  • Pose 8: -8.148 kcal/mol
  • Pose 9: -8.096 kcal/mol
CHEMBL3915044_dpp4
Energy Plot
RMSD Scatter Plot