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

Docking Result

CHEMBL2058967_dpp4

Atoms: 252
Models: 9
Best Energy: -7.648 kcal/mol

Binding Energies:
  • Pose 1: -7.648 kcal/mol
  • Pose 2: -7.622 kcal/mol
  • Pose 3: -7.545 kcal/mol
  • Pose 4: -7.48 kcal/mol
  • Pose 5: -7.47 kcal/mol
  • Pose 6: -7.448 kcal/mol
  • Pose 7: -7.44 kcal/mol
  • Pose 8: -7.407 kcal/mol
  • Pose 9: -7.184 kcal/mol
CHEMBL2058967_dpp4
Energy Plot
RMSD Scatter Plot