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

Docking Result

CHEMBL257308_dpp4

Atoms: 207
Models: 9
Best Energy: -6.63 kcal/mol

Binding Energies:
  • Pose 1: -6.63 kcal/mol
  • Pose 2: -6.608 kcal/mol
  • Pose 3: -6.518 kcal/mol
  • Pose 4: -6.326 kcal/mol
  • Pose 5: -6.323 kcal/mol
  • Pose 6: -6.142 kcal/mol
  • Pose 7: -6.11 kcal/mol
  • Pose 8: -6 kcal/mol
  • Pose 9: -5.908 kcal/mol
CHEMBL257308_dpp4
Energy Plot
RMSD Scatter Plot