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

Docking Result

CHEMBL398661_dpp4

Atoms: 297
Models: 9
Best Energy: -8.122 kcal/mol

Binding Energies:
  • Pose 1: -8.122 kcal/mol
  • Pose 2: -8.074 kcal/mol
  • Pose 3: -8.006 kcal/mol
  • Pose 4: -7.827 kcal/mol
  • Pose 5: -7.689 kcal/mol
  • Pose 6: -7.659 kcal/mol
  • Pose 7: -7.649 kcal/mol
  • Pose 8: -7.583 kcal/mol
  • Pose 9: -7.566 kcal/mol
CHEMBL398661_dpp4
Energy Plot
RMSD Scatter Plot