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

Docking Result

CHEMBL1779696_dpp4

Atoms: 297
Models: 9
Best Energy: -8.708 kcal/mol

Binding Energies:
  • Pose 1: -8.708 kcal/mol
  • Pose 2: -8.588 kcal/mol
  • Pose 3: -8.496 kcal/mol
  • Pose 4: -8.383 kcal/mol
  • Pose 5: -8.326 kcal/mol
  • Pose 6: -8.299 kcal/mol
  • Pose 7: -8.18 kcal/mol
  • Pose 8: -8.105 kcal/mol
  • Pose 9: -8.098 kcal/mol
CHEMBL1779696_dpp4
Energy Plot
RMSD Scatter Plot