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

Docking Result

CHEMBL2425066_dpp4

Atoms: 243
Models: 9
Best Energy: -7.804 kcal/mol

Binding Energies:
  • Pose 1: -7.804 kcal/mol
  • Pose 2: -7.677 kcal/mol
  • Pose 3: -7.555 kcal/mol
  • Pose 4: -7.181 kcal/mol
  • Pose 5: -7.173 kcal/mol
  • Pose 6: -7.113 kcal/mol
  • Pose 7: -7.041 kcal/mol
  • Pose 8: -7.039 kcal/mol
  • Pose 9: -7.017 kcal/mol
CHEMBL2425066_dpp4
Energy Plot
RMSD Scatter Plot