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

Docking Result

CHEMBL5624515_dpp4

Atoms: 360
Models: 9
Best Energy: -9.258 kcal/mol

Binding Energies:
  • Pose 1: -9.258 kcal/mol
  • Pose 2: -9.204 kcal/mol
  • Pose 3: -9.202 kcal/mol
  • Pose 4: -9.076 kcal/mol
  • Pose 5: -9.062 kcal/mol
  • Pose 6: -9.031 kcal/mol
  • Pose 7: -8.855 kcal/mol
  • Pose 8: -8.838 kcal/mol
  • Pose 9: -8.72 kcal/mol
CHEMBL5624515_dpp4
Energy Plot
RMSD Scatter Plot