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

Docking Result

CHEMBL4468590_dpp4

Atoms: 342
Models: 9
Best Energy: -9.088 kcal/mol

Binding Energies:
  • Pose 1: -9.088 kcal/mol
  • Pose 2: -8.386 kcal/mol
  • Pose 3: -8.032 kcal/mol
  • Pose 4: -7.808 kcal/mol
  • Pose 5: -7.628 kcal/mol
  • Pose 6: -7.551 kcal/mol
  • Pose 7: -7.393 kcal/mol
  • Pose 8: -7.386 kcal/mol
  • Pose 9: -7.098 kcal/mol
CHEMBL4468590_dpp4
Energy Plot
RMSD Scatter Plot