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

Docking Result

CHEMBL4567320_dpp4

Atoms: 333
Models: 9
Best Energy: -7.839 kcal/mol

Binding Energies:
  • Pose 1: -7.839 kcal/mol
  • Pose 2: -7.726 kcal/mol
  • Pose 3: -7.627 kcal/mol
  • Pose 4: -7.56 kcal/mol
  • Pose 5: -7.493 kcal/mol
  • Pose 6: -7.454 kcal/mol
  • Pose 7: -7.305 kcal/mol
  • Pose 8: -7.287 kcal/mol
  • Pose 9: -7.24 kcal/mol
CHEMBL4567320_dpp4
Energy Plot
RMSD Scatter Plot