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

Docking Result

CHEMBL3236129_dpp4

Atoms: 288
Models: 9
Best Energy: -8.846 kcal/mol

Binding Energies:
  • Pose 1: -8.846 kcal/mol
  • Pose 2: -8.843 kcal/mol
  • Pose 3: -8.555 kcal/mol
  • Pose 4: -8.517 kcal/mol
  • Pose 5: -8.509 kcal/mol
  • Pose 6: -8.458 kcal/mol
  • Pose 7: -8.373 kcal/mol
  • Pose 8: -8.321 kcal/mol
  • Pose 9: -8.275 kcal/mol
CHEMBL3236129_dpp4
Energy Plot
RMSD Scatter Plot