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

Docking Result

CHEMBL1683115_dpp4

Atoms: 288
Models: 9
Best Energy: -8.723 kcal/mol

Binding Energies:
  • Pose 1: -8.723 kcal/mol
  • Pose 2: -8.655 kcal/mol
  • Pose 3: -8.58 kcal/mol
  • Pose 4: -8.429 kcal/mol
  • Pose 5: -8.305 kcal/mol
  • Pose 6: -8.292 kcal/mol
  • Pose 7: -8.225 kcal/mol
  • Pose 8: -8.224 kcal/mol
  • Pose 9: -7.966 kcal/mol
CHEMBL1683115_dpp4
Energy Plot
RMSD Scatter Plot