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

Docking Result

CHEMBL3084819_dpp4

Atoms: 252
Models: 9
Best Energy: -7.757 kcal/mol

Binding Energies:
  • Pose 1: -7.757 kcal/mol
  • Pose 2: -7.662 kcal/mol
  • Pose 3: -7.596 kcal/mol
  • Pose 4: -7.571 kcal/mol
  • Pose 5: -7.543 kcal/mol
  • Pose 6: -7.513 kcal/mol
  • Pose 7: -7.479 kcal/mol
  • Pose 8: -7.465 kcal/mol
  • Pose 9: -7.446 kcal/mol
CHEMBL3084819_dpp4
Energy Plot
RMSD Scatter Plot