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

Docking Result

CHEMBL5287906_dpp4

Atoms: 297
Models: 9
Best Energy: -8.584 kcal/mol

Binding Energies:
  • Pose 1: -8.584 kcal/mol
  • Pose 2: -8.039 kcal/mol
  • Pose 3: -7.901 kcal/mol
  • Pose 4: -7.865 kcal/mol
  • Pose 5: -7.815 kcal/mol
  • Pose 6: -7.789 kcal/mol
  • Pose 7: -7.776 kcal/mol
  • Pose 8: -7.739 kcal/mol
  • Pose 9: -7.672 kcal/mol
CHEMBL5287906_dpp4
Energy Plot
RMSD Scatter Plot