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

Docking Result

CHEMBL3127992_dpp4

Atoms: 225
Models: 9
Best Energy: -7.675 kcal/mol

Binding Energies:
  • Pose 1: -7.675 kcal/mol
  • Pose 2: -7.66 kcal/mol
  • Pose 3: -7.58 kcal/mol
  • Pose 4: -7.358 kcal/mol
  • Pose 5: -7.34 kcal/mol
  • Pose 6: -7.291 kcal/mol
  • Pose 7: -7.194 kcal/mol
  • Pose 8: -7.182 kcal/mol
  • Pose 9: -6.999 kcal/mol
CHEMBL3127992_dpp4
Energy Plot
RMSD Scatter Plot