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

Docking Result

CHEMBL3805937_dpp4

Atoms: 306
Models: 9
Best Energy: -9.876 kcal/mol

Binding Energies:
  • Pose 1: -9.876 kcal/mol
  • Pose 2: -8.712 kcal/mol
  • Pose 3: -8.509 kcal/mol
  • Pose 4: -8.468 kcal/mol
  • Pose 5: -8.452 kcal/mol
  • Pose 6: -8.242 kcal/mol
  • Pose 7: -8.175 kcal/mol
  • Pose 8: -8.101 kcal/mol
  • Pose 9: -8.055 kcal/mol
CHEMBL3805937_dpp4
Energy Plot
RMSD Scatter Plot