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

Docking Result

CHEMBL1761687_dpp4

Atoms: 342
Models: 9
Best Energy: -8.723 kcal/mol

Binding Energies:
  • Pose 1: -8.723 kcal/mol
  • Pose 2: -8.078 kcal/mol
  • Pose 3: -7.989 kcal/mol
  • Pose 4: -7.944 kcal/mol
  • Pose 5: -7.904 kcal/mol
  • Pose 6: -7.866 kcal/mol
  • Pose 7: -7.701 kcal/mol
  • Pose 8: -7.619 kcal/mol
  • Pose 9: -7.453 kcal/mol
CHEMBL1761687_dpp4
Energy Plot
RMSD Scatter Plot