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

Docking Result

CHEMBL3644786_dpp4

Atoms: 333
Models: 9
Best Energy: -8.497 kcal/mol

Binding Energies:
  • Pose 1: -8.497 kcal/mol
  • Pose 2: -8.023 kcal/mol
  • Pose 3: -7.987 kcal/mol
  • Pose 4: -7.924 kcal/mol
  • Pose 5: -7.781 kcal/mol
  • Pose 6: -7.75 kcal/mol
  • Pose 7: -7.654 kcal/mol
  • Pose 8: -7.605 kcal/mol
  • Pose 9: -7.541 kcal/mol
CHEMBL3644786_dpp4
Energy Plot
RMSD Scatter Plot