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

Docking Result

CHEMBL1243216_dpp4

Atoms: 279
Models: 9
Best Energy: -9.426 kcal/mol

Binding Energies:
  • Pose 1: -9.426 kcal/mol
  • Pose 2: -8.705 kcal/mol
  • Pose 3: -8.613 kcal/mol
  • Pose 4: -8.564 kcal/mol
  • Pose 5: -8.404 kcal/mol
  • Pose 6: -8.172 kcal/mol
  • Pose 7: -8.169 kcal/mol
  • Pose 8: -8.148 kcal/mol
  • Pose 9: -8.083 kcal/mol
CHEMBL1243216_dpp4
Energy Plot
RMSD Scatter Plot