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

Docking Result

CHEMBL196114_dpp4

Atoms: 297
Models: 9
Best Energy: -9.029 kcal/mol

Binding Energies:
  • Pose 1: -9.029 kcal/mol
  • Pose 2: -8.983 kcal/mol
  • Pose 3: -8.433 kcal/mol
  • Pose 4: -8.342 kcal/mol
  • Pose 5: -8.105 kcal/mol
  • Pose 6: -8.073 kcal/mol
  • Pose 7: -7.981 kcal/mol
  • Pose 8: -7.941 kcal/mol
  • Pose 9: -7.846 kcal/mol
CHEMBL196114_dpp4
Energy Plot
RMSD Scatter Plot