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

Docking Result

CHEMBL4779718_dpp4

Atoms: 234
Models: 9
Best Energy: -7.543 kcal/mol

Binding Energies:
  • Pose 1: -7.543 kcal/mol
  • Pose 2: -7.349 kcal/mol
  • Pose 3: -7.31 kcal/mol
  • Pose 4: -7.297 kcal/mol
  • Pose 5: -7.232 kcal/mol
  • Pose 6: -7.216 kcal/mol
  • Pose 7: -7.216 kcal/mol
  • Pose 8: -7.103 kcal/mol
  • Pose 9: -7.049 kcal/mol
CHEMBL4779718_dpp4
Energy Plot
RMSD Scatter Plot