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

Docking Result

CHEMBL389138_dpp4

Atoms: 225
Models: 9
Best Energy: -8.41 kcal/mol

Binding Energies:
  • Pose 1: -8.41 kcal/mol
  • Pose 2: -8.138 kcal/mol
  • Pose 3: -7.781 kcal/mol
  • Pose 4: -7.578 kcal/mol
  • Pose 5: -7.46 kcal/mol
  • Pose 6: -7.398 kcal/mol
  • Pose 7: -7.385 kcal/mol
  • Pose 8: -7.284 kcal/mol
  • Pose 9: -7.205 kcal/mol
CHEMBL389138_dpp4
Energy Plot
RMSD Scatter Plot