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

Docking Result

CHEMBL273206_dpp4

Atoms: 243
Models: 9
Best Energy: -7.628 kcal/mol

Binding Energies:
  • Pose 1: -7.628 kcal/mol
  • Pose 2: -7.433 kcal/mol
  • Pose 3: -7.233 kcal/mol
  • Pose 4: -7.214 kcal/mol
  • Pose 5: -7.178 kcal/mol
  • Pose 6: -7.056 kcal/mol
  • Pose 7: -7.041 kcal/mol
  • Pose 8: -6.873 kcal/mol
  • Pose 9: -6.611 kcal/mol
CHEMBL273206_dpp4
Energy Plot
RMSD Scatter Plot