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

Docking Result

CHEMBL4437841_dpp4

Atoms: 342
Models: 9
Best Energy: -8.564 kcal/mol

Binding Energies:
  • Pose 1: -8.564 kcal/mol
  • Pose 2: -8.529 kcal/mol
  • Pose 3: -8.38 kcal/mol
  • Pose 4: -8.208 kcal/mol
  • Pose 5: -8.176 kcal/mol
  • Pose 6: -8.124 kcal/mol
  • Pose 7: -7.95 kcal/mol
  • Pose 8: -7.842 kcal/mol
  • Pose 9: -7.59 kcal/mol
CHEMBL4437841_dpp4
Energy Plot
RMSD Scatter Plot