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

Docking Result

CHEMBL3680629_dpp4

Atoms: 396
Models: 9
Best Energy: -9.383 kcal/mol

Binding Energies:
  • Pose 1: -9.383 kcal/mol
  • Pose 2: -9.313 kcal/mol
  • Pose 3: -9.144 kcal/mol
  • Pose 4: -9.058 kcal/mol
  • Pose 5: -9.04 kcal/mol
  • Pose 6: -9.011 kcal/mol
  • Pose 7: -8.998 kcal/mol
  • Pose 8: -8.822 kcal/mol
  • Pose 9: -8.81 kcal/mol
CHEMBL3680629_dpp4
Energy Plot
RMSD Scatter Plot