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

Docking Result

CHEMBL1683145_dpp4

Atoms: 270
Models: 9
Best Energy: -8.307 kcal/mol

Binding Energies:
  • Pose 1: -8.307 kcal/mol
  • Pose 2: -8.235 kcal/mol
  • Pose 3: -8.146 kcal/mol
  • Pose 4: -8.14 kcal/mol
  • Pose 5: -8.095 kcal/mol
  • Pose 6: -7.841 kcal/mol
  • Pose 7: -7.796 kcal/mol
  • Pose 8: -7.685 kcal/mol
  • Pose 9: -7.361 kcal/mol
CHEMBL1683145_dpp4
Energy Plot
RMSD Scatter Plot