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

Docking Result

CHEMBL2022522_dpp4

Atoms: 297
Models: 9
Best Energy: -7.815 kcal/mol

Binding Energies:
  • Pose 1: -7.815 kcal/mol
  • Pose 2: -7.775 kcal/mol
  • Pose 3: -7.52 kcal/mol
  • Pose 4: -7.516 kcal/mol
  • Pose 5: -7.413 kcal/mol
  • Pose 6: -7.386 kcal/mol
  • Pose 7: -7.365 kcal/mol
  • Pose 8: -7.346 kcal/mol
  • Pose 9: -7.265 kcal/mol
CHEMBL2022522_dpp4
Energy Plot
RMSD Scatter Plot