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

Docking Result

CHEMBL402466_dpp4

Atoms: 207
Models: 9
Best Energy: -6.703 kcal/mol

Binding Energies:
  • Pose 1: -6.703 kcal/mol
  • Pose 2: -6.402 kcal/mol
  • Pose 3: -6.277 kcal/mol
  • Pose 4: -6.199 kcal/mol
  • Pose 5: -6.168 kcal/mol
  • Pose 6: -5.981 kcal/mol
  • Pose 7: -5.828 kcal/mol
  • Pose 8: -5.514 kcal/mol
  • Pose 9: -5.467 kcal/mol
CHEMBL402466_dpp4
Energy Plot
RMSD Scatter Plot