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

Docking Result

CHEMBL399481_dpp4

Atoms: 369
Models: 9
Best Energy: -8.231 kcal/mol

Binding Energies:
  • Pose 1: -8.231 kcal/mol
  • Pose 2: -8.185 kcal/mol
  • Pose 3: -8.091 kcal/mol
  • Pose 4: -7.959 kcal/mol
  • Pose 5: -7.938 kcal/mol
  • Pose 6: -7.762 kcal/mol
  • Pose 7: -7.688 kcal/mol
  • Pose 8: -7.649 kcal/mol
  • Pose 9: -7.614 kcal/mol
CHEMBL399481_dpp4
Energy Plot
RMSD Scatter Plot