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

Docking Result

CHEMBL4799779_dpp4

Atoms: 414
Models: 9
Best Energy: -9.302 kcal/mol

Binding Energies:
  • Pose 1: -9.302 kcal/mol
  • Pose 2: -9 kcal/mol
  • Pose 3: -8.882 kcal/mol
  • Pose 4: -8.794 kcal/mol
  • Pose 5: -8.725 kcal/mol
  • Pose 6: -8.632 kcal/mol
  • Pose 7: -8.628 kcal/mol
  • Pose 8: -8.608 kcal/mol
  • Pose 9: -8.536 kcal/mol
CHEMBL4799779_dpp4
Energy Plot
RMSD Scatter Plot