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

Docking Result

CHEMBL87265_dpp4

Atoms: 135
Models: 9
Best Energy: -5.664 kcal/mol

Binding Energies:
  • Pose 1: -5.664 kcal/mol
  • Pose 2: -5.622 kcal/mol
  • Pose 3: -5.62 kcal/mol
  • Pose 4: -5.329 kcal/mol
  • Pose 5: -5.281 kcal/mol
  • Pose 6: -5.255 kcal/mol
  • Pose 7: -5.25 kcal/mol
  • Pose 8: -4.977 kcal/mol
  • Pose 9: -4.923 kcal/mol
CHEMBL87265_dpp4
Energy Plot
RMSD Scatter Plot