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

Docking Result

CHEMBL148002_dpp4

Atoms: 117
Models: 9
Best Energy: -5.094 kcal/mol

Binding Energies:
  • Pose 1: -5.094 kcal/mol
  • Pose 2: -4.774 kcal/mol
  • Pose 3: -4.688 kcal/mol
  • Pose 4: -4.562 kcal/mol
  • Pose 5: -4.55 kcal/mol
  • Pose 6: -4.391 kcal/mol
  • Pose 7: -4.383 kcal/mol
  • Pose 8: -4.382 kcal/mol
  • Pose 9: -4.207 kcal/mol
CHEMBL148002_dpp4
Energy Plot
RMSD Scatter Plot