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

Docking Result

CHEMBL1951423_dpp4

Atoms: 351
Models: 9
Best Energy: -9.383 kcal/mol

Binding Energies:
  • Pose 1: -9.383 kcal/mol
  • Pose 2: -8.968 kcal/mol
  • Pose 3: -8.741 kcal/mol
  • Pose 4: -8.681 kcal/mol
  • Pose 5: -8.665 kcal/mol
  • Pose 6: -8.521 kcal/mol
  • Pose 7: -8.448 kcal/mol
  • Pose 8: -8.423 kcal/mol
  • Pose 9: -8.378 kcal/mol
CHEMBL1951423_dpp4
Energy Plot
RMSD Scatter Plot