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

Docking Result

CHEMBL5888255_dpp4

Atoms: 432
Models: 9
Best Energy: -10.634 kcal/mol

Binding Energies:
  • Pose 1: -10.634 kcal/mol
  • Pose 2: -10.545 kcal/mol
  • Pose 3: -10.226 kcal/mol
  • Pose 4: -10.171 kcal/mol
  • Pose 5: -10.116 kcal/mol
  • Pose 6: -10.013 kcal/mol
  • Pose 7: -9.913 kcal/mol
  • Pose 8: -9.85 kcal/mol
  • Pose 9: -9.595 kcal/mol
CHEMBL5888255_dpp4
Energy Plot
RMSD Scatter Plot