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

Docking Result

CHEMBL6146824_dpp4

Atoms: 459
Models: 9
Best Energy: -7.597 kcal/mol

Binding Energies:
  • Pose 1: -7.597 kcal/mol
  • Pose 2: -7.457 kcal/mol
  • Pose 3: -7.455 kcal/mol
  • Pose 4: -7.331 kcal/mol
  • Pose 5: -7.329 kcal/mol
  • Pose 6: -7.24 kcal/mol
  • Pose 7: -7.058 kcal/mol
  • Pose 8: -6.97 kcal/mol
  • Pose 9: -6.929 kcal/mol
CHEMBL6146824_dpp4
Energy Plot
RMSD Scatter Plot