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

Docking Result

CHEMBL235420_dpp4

Atoms: 243
Models: 9
Best Energy: -8.4 kcal/mol

Binding Energies:
  • Pose 1: -8.4 kcal/mol
  • Pose 2: -8.359 kcal/mol
  • Pose 3: -8.333 kcal/mol
  • Pose 4: -8.319 kcal/mol
  • Pose 5: -8.274 kcal/mol
  • Pose 6: -8.134 kcal/mol
  • Pose 7: -8.13 kcal/mol
  • Pose 8: -8.089 kcal/mol
  • Pose 9: -7.996 kcal/mol
CHEMBL235420_dpp4
Energy Plot
RMSD Scatter Plot