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

Docking Result

CHEMBL3580790_dpp4

Atoms: 306
Models: 9
Best Energy: -7.264 kcal/mol

Binding Energies:
  • Pose 1: -7.264 kcal/mol
  • Pose 2: -7.107 kcal/mol
  • Pose 3: -6.954 kcal/mol
  • Pose 4: -6.895 kcal/mol
  • Pose 5: -6.775 kcal/mol
  • Pose 6: -6.669 kcal/mol
  • Pose 7: -6.545 kcal/mol
  • Pose 8: -6.508 kcal/mol
  • Pose 9: -6.367 kcal/mol
CHEMBL3580790_dpp4
Energy Plot
RMSD Scatter Plot