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

Docking Result

CHEMBL5434105_dpp4

Atoms: 441
Models: 9
Best Energy: -10.507 kcal/mol

Binding Energies:
  • Pose 1: -10.507 kcal/mol
  • Pose 2: -10.154 kcal/mol
  • Pose 3: -10.127 kcal/mol
  • Pose 4: -10.056 kcal/mol
  • Pose 5: -9.984 kcal/mol
  • Pose 6: -9.98 kcal/mol
  • Pose 7: -9.979 kcal/mol
  • Pose 8: -9.847 kcal/mol
  • Pose 9: -9.841 kcal/mol
CHEMBL5434105_dpp4
Energy Plot
RMSD Scatter Plot