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

Docking Result

CHEMBL380860_dpp4

Atoms: 189
Models: 9
Best Energy: -7.328 kcal/mol

Binding Energies:
  • Pose 1: -7.328 kcal/mol
  • Pose 2: -7.232 kcal/mol
  • Pose 3: -6.981 kcal/mol
  • Pose 4: -6.898 kcal/mol
  • Pose 5: -6.734 kcal/mol
  • Pose 6: -6.647 kcal/mol
  • Pose 7: -6.353 kcal/mol
  • Pose 8: -6.33 kcal/mol
  • Pose 9: -6.111 kcal/mol
CHEMBL380860_dpp4
Energy Plot
RMSD Scatter Plot