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

Docking Result

CHEMBL34062_dpp4

Atoms: 279
Models: 9
Best Energy: -7.575 kcal/mol

Binding Energies:
  • Pose 1: -7.575 kcal/mol
  • Pose 2: -7.527 kcal/mol
  • Pose 3: -7.489 kcal/mol
  • Pose 4: -7.288 kcal/mol
  • Pose 5: -7.268 kcal/mol
  • Pose 6: -7.208 kcal/mol
  • Pose 7: -7.04 kcal/mol
  • Pose 8: -6.894 kcal/mol
  • Pose 9: -6.861 kcal/mol
CHEMBL34062_dpp4
Energy Plot
RMSD Scatter Plot