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

Docking Result

CHEMBL3357781_dpp4

Atoms: 297
Models: 9
Best Energy: -8.508 kcal/mol

Binding Energies:
  • Pose 1: -8.508 kcal/mol
  • Pose 2: -8.28 kcal/mol
  • Pose 3: -8.169 kcal/mol
  • Pose 4: -8.062 kcal/mol
  • Pose 5: -8.037 kcal/mol
  • Pose 6: -8.025 kcal/mol
  • Pose 7: -7.975 kcal/mol
  • Pose 8: -7.975 kcal/mol
  • Pose 9: -7.82 kcal/mol
CHEMBL3357781_dpp4
Energy Plot
RMSD Scatter Plot