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

Docking Result

CHEMBL251205_dpp4

Atoms: 270
Models: 9
Best Energy: -7.964 kcal/mol

Binding Energies:
  • Pose 1: -7.964 kcal/mol
  • Pose 2: -7.754 kcal/mol
  • Pose 3: -7.668 kcal/mol
  • Pose 4: -7.632 kcal/mol
  • Pose 5: -7.509 kcal/mol
  • Pose 6: -7.481 kcal/mol
  • Pose 7: -7.176 kcal/mol
  • Pose 8: -6.944 kcal/mol
  • Pose 9: -6.941 kcal/mol
CHEMBL251205_dpp4
Energy Plot
RMSD Scatter Plot