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

Docking Result

CHEMBL4633377_dpp4

Atoms: 297
Models: 9
Best Energy: -8.019 kcal/mol

Binding Energies:
  • Pose 1: -8.019 kcal/mol
  • Pose 2: -7.998 kcal/mol
  • Pose 3: -7.941 kcal/mol
  • Pose 4: -7.805 kcal/mol
  • Pose 5: -7.784 kcal/mol
  • Pose 6: -7.771 kcal/mol
  • Pose 7: -7.545 kcal/mol
  • Pose 8: -7.394 kcal/mol
  • Pose 9: -7.248 kcal/mol
CHEMBL4633377_dpp4
Energy Plot
RMSD Scatter Plot