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

Docking Result

CHEMBL474960_dpp4

Atoms: 297
Models: 9
Best Energy: -7.977 kcal/mol

Binding Energies:
  • Pose 1: -7.977 kcal/mol
  • Pose 2: -7.84 kcal/mol
  • Pose 3: -7.117 kcal/mol
  • Pose 4: -6.942 kcal/mol
  • Pose 5: -6.77 kcal/mol
  • Pose 6: -6.738 kcal/mol
  • Pose 7: -6.554 kcal/mol
  • Pose 8: -6.52 kcal/mol
  • Pose 9: -6.189 kcal/mol
CHEMBL474960_dpp4
Energy Plot
RMSD Scatter Plot