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

Docking Result

CHEMBL428894_dpp4

Atoms: 243
Models: 9
Best Energy: -7.603 kcal/mol

Binding Energies:
  • Pose 1: -7.603 kcal/mol
  • Pose 2: -7.601 kcal/mol
  • Pose 3: -7.476 kcal/mol
  • Pose 4: -7.351 kcal/mol
  • Pose 5: -7.094 kcal/mol
  • Pose 6: -6.903 kcal/mol
  • Pose 7: -6.892 kcal/mol
  • Pose 8: -6.603 kcal/mol
  • Pose 9: -6.529 kcal/mol
CHEMBL428894_dpp4
Energy Plot
RMSD Scatter Plot