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

Docking Result

CHEMBL3736511_dpp4

Atoms: 306
Models: 9
Best Energy: -9.489 kcal/mol

Binding Energies:
  • Pose 1: -9.489 kcal/mol
  • Pose 2: -9.457 kcal/mol
  • Pose 3: -9.133 kcal/mol
  • Pose 4: -8.948 kcal/mol
  • Pose 5: -8.926 kcal/mol
  • Pose 6: -8.867 kcal/mol
  • Pose 7: -8.655 kcal/mol
  • Pose 8: -8.525 kcal/mol
  • Pose 9: -8.493 kcal/mol
CHEMBL3736511_dpp4
Energy Plot
RMSD Scatter Plot