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

Docking Result

CHEMBL3616898_dpp4

Atoms: 333
Models: 9
Best Energy: -8.337 kcal/mol

Binding Energies:
  • Pose 1: -8.337 kcal/mol
  • Pose 2: -8.17 kcal/mol
  • Pose 3: -7.937 kcal/mol
  • Pose 4: -7.933 kcal/mol
  • Pose 5: -7.921 kcal/mol
  • Pose 6: -7.814 kcal/mol
  • Pose 7: -7.787 kcal/mol
  • Pose 8: -7.693 kcal/mol
  • Pose 9: -7.653 kcal/mol
CHEMBL3616898_dpp4
Energy Plot
RMSD Scatter Plot