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

Docking Result

CHEMBL5410710_dpp4

Atoms: 207
Models: 9
Best Energy: -7.231 kcal/mol

Binding Energies:
  • Pose 1: -7.231 kcal/mol
  • Pose 2: -7.183 kcal/mol
  • Pose 3: -6.99 kcal/mol
  • Pose 4: -6.867 kcal/mol
  • Pose 5: -6.803 kcal/mol
  • Pose 6: -6.792 kcal/mol
  • Pose 7: -6.77 kcal/mol
  • Pose 8: -6.522 kcal/mol
  • Pose 9: -6.499 kcal/mol
CHEMBL5410710_dpp4
Energy Plot
RMSD Scatter Plot