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

Docking Result

CHEMBL2346926_dpp4

Atoms: 306
Models: 9
Best Energy: -8.866 kcal/mol

Binding Energies:
  • Pose 1: -8.866 kcal/mol
  • Pose 2: -8.72 kcal/mol
  • Pose 3: -8.606 kcal/mol
  • Pose 4: -8.504 kcal/mol
  • Pose 5: -8.428 kcal/mol
  • Pose 6: -8.201 kcal/mol
  • Pose 7: -8.169 kcal/mol
  • Pose 8: -8.106 kcal/mol
  • Pose 9: -7.816 kcal/mol
CHEMBL2346926_dpp4
Energy Plot
RMSD Scatter Plot