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

Docking Result

CHEMBL236923_dpp4

Atoms: 270
Models: 9
Best Energy: -9.011 kcal/mol

Binding Energies:
  • Pose 1: -9.011 kcal/mol
  • Pose 2: -8.88 kcal/mol
  • Pose 3: -8.821 kcal/mol
  • Pose 4: -8.782 kcal/mol
  • Pose 5: -8.688 kcal/mol
  • Pose 6: -8.444 kcal/mol
  • Pose 7: -8.391 kcal/mol
  • Pose 8: -8.36 kcal/mol
  • Pose 9: -8.326 kcal/mol
CHEMBL236923_dpp4
Energy Plot
RMSD Scatter Plot