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

Docking Result

CHEMBL3618037_dpp4

Atoms: 184
Models: 8
Best Energy: -8.001 kcal/mol

Binding Energies:
  • Pose 1: -8.001 kcal/mol
  • Pose 2: -7.721 kcal/mol
  • Pose 3: -7.434 kcal/mol
  • Pose 4: -7.235 kcal/mol
  • Pose 5: -7.226 kcal/mol
  • Pose 6: -6.98 kcal/mol
  • Pose 7: -6.921 kcal/mol
  • Pose 8: -6.87 kcal/mol
CHEMBL3618037_dpp4
Energy Plot
RMSD Scatter Plot