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

Docking Result

CHEMBL474421_dpp4

Atoms: 243
Models: 9
Best Energy: -7.33 kcal/mol

Binding Energies:
  • Pose 1: -7.33 kcal/mol
  • Pose 2: -7.277 kcal/mol
  • Pose 3: -7.238 kcal/mol
  • Pose 4: -7.191 kcal/mol
  • Pose 5: -7.129 kcal/mol
  • Pose 6: -7.076 kcal/mol
  • Pose 7: -7.021 kcal/mol
  • Pose 8: -7.006 kcal/mol
  • Pose 9: -6.587 kcal/mol
CHEMBL474421_dpp4
Energy Plot
RMSD Scatter Plot