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

Docking Result

CHEMBL1688421_dpp4

Atoms: 234
Models: 9
Best Energy: -8.11 kcal/mol

Binding Energies:
  • Pose 1: -8.11 kcal/mol
  • Pose 2: -8.073 kcal/mol
  • Pose 3: -7.783 kcal/mol
  • Pose 4: -7.629 kcal/mol
  • Pose 5: -7.499 kcal/mol
  • Pose 6: -7.443 kcal/mol
  • Pose 7: -7.429 kcal/mol
  • Pose 8: -7.381 kcal/mol
  • Pose 9: -7.353 kcal/mol
CHEMBL1688421_dpp4
Energy Plot
RMSD Scatter Plot