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

Docking Result

CHEMBL186649_dpp4

Atoms: 360
Models: 9
Best Energy: -8.684 kcal/mol

Binding Energies:
  • Pose 1: -8.684 kcal/mol
  • Pose 2: -8.619 kcal/mol
  • Pose 3: -8.456 kcal/mol
  • Pose 4: -8.36 kcal/mol
  • Pose 5: -8.314 kcal/mol
  • Pose 6: -8.21 kcal/mol
  • Pose 7: -8.149 kcal/mol
  • Pose 8: -8.126 kcal/mol
  • Pose 9: -8.066 kcal/mol
CHEMBL186649_dpp4
Energy Plot
RMSD Scatter Plot