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

Docking Result

CHEMBL175260_dpp4

Atoms: 153
Models: 9
Best Energy: -6.577 kcal/mol

Binding Energies:
  • Pose 1: -6.577 kcal/mol
  • Pose 2: -6.437 kcal/mol
  • Pose 3: -6.243 kcal/mol
  • Pose 4: -6.227 kcal/mol
  • Pose 5: -6.148 kcal/mol
  • Pose 6: -6.032 kcal/mol
  • Pose 7: -6.006 kcal/mol
  • Pose 8: -5.992 kcal/mol
  • Pose 9: -5.901 kcal/mol
CHEMBL175260_dpp4
Energy Plot
RMSD Scatter Plot