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

Docking Result

CHEMBL400615_dpp4

Atoms: 207
Models: 9
Best Energy: -6.526 kcal/mol

Binding Energies:
  • Pose 1: -6.526 kcal/mol
  • Pose 2: -6.443 kcal/mol
  • Pose 3: -6.346 kcal/mol
  • Pose 4: -6.27 kcal/mol
  • Pose 5: -6.248 kcal/mol
  • Pose 6: -6.247 kcal/mol
  • Pose 7: -6.224 kcal/mol
  • Pose 8: -6.209 kcal/mol
  • Pose 9: -6.179 kcal/mol
CHEMBL400615_dpp4
Energy Plot
RMSD Scatter Plot