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

Docking Result

CHEMBL3330062_dpp4

Atoms: 216
Models: 9
Best Energy: -7.774 kcal/mol

Binding Energies:
  • Pose 1: -7.774 kcal/mol
  • Pose 2: -7.699 kcal/mol
  • Pose 3: -7.512 kcal/mol
  • Pose 4: -7.509 kcal/mol
  • Pose 5: -7.448 kcal/mol
  • Pose 6: -7.367 kcal/mol
  • Pose 7: -7.338 kcal/mol
  • Pose 8: -7.326 kcal/mol
  • Pose 9: -7.215 kcal/mol
CHEMBL3330062_dpp4
Energy Plot
RMSD Scatter Plot