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

Docking Result

CHEMBL366278_dpp4

Atoms: 180
Models: 9
Best Energy: -6.07 kcal/mol

Binding Energies:
  • Pose 1: -6.07 kcal/mol
  • Pose 2: -5.945 kcal/mol
  • Pose 3: -5.92 kcal/mol
  • Pose 4: -5.864 kcal/mol
  • Pose 5: -5.7 kcal/mol
  • Pose 6: -5.59 kcal/mol
  • Pose 7: -5.374 kcal/mol
  • Pose 8: -5.344 kcal/mol
  • Pose 9: -5.248 kcal/mol
CHEMBL366278_dpp4
Energy Plot
RMSD Scatter Plot