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

Docking Result

CHEMBL6033013_dpp4

Atoms: 396
Models: 9
Best Energy: -9.76 kcal/mol

Binding Energies:
  • Pose 1: -9.76 kcal/mol
  • Pose 2: -9.616 kcal/mol
  • Pose 3: -9.062 kcal/mol
  • Pose 4: -9.04 kcal/mol
  • Pose 5: -8.997 kcal/mol
  • Pose 6: -8.883 kcal/mol
  • Pose 7: -8.82 kcal/mol
  • Pose 8: -8.776 kcal/mol
  • Pose 9: -8.767 kcal/mol
CHEMBL6033013_dpp4
Energy Plot
RMSD Scatter Plot