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

Docking Result

CHEMBL2346927_dpp4

Atoms: 315
Models: 9
Best Energy: -8.27 kcal/mol

Binding Energies:
  • Pose 1: -8.27 kcal/mol
  • Pose 2: -8.18 kcal/mol
  • Pose 3: -8.179 kcal/mol
  • Pose 4: -8.133 kcal/mol
  • Pose 5: -8.115 kcal/mol
  • Pose 6: -8.054 kcal/mol
  • Pose 7: -8.002 kcal/mol
  • Pose 8: -7.85 kcal/mol
  • Pose 9: -7.821 kcal/mol
CHEMBL2346927_dpp4
Energy Plot
RMSD Scatter Plot