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

Docking Result

CHEMBL99047_dpp4

Atoms: 225
Models: 9
Best Energy: -6.619 kcal/mol

Binding Energies:
  • Pose 1: -6.619 kcal/mol
  • Pose 2: -6.562 kcal/mol
  • Pose 3: -6.561 kcal/mol
  • Pose 4: -6.56 kcal/mol
  • Pose 5: -6.474 kcal/mol
  • Pose 6: -6.418 kcal/mol
  • Pose 7: -6.33 kcal/mol
  • Pose 8: -6.179 kcal/mol
  • Pose 9: -6.174 kcal/mol
CHEMBL99047_dpp4
Energy Plot
RMSD Scatter Plot