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

Docking Result

CHEMBL480712_dpp4

Atoms: 252
Models: 9
Best Energy: -7.747 kcal/mol

Binding Energies:
  • Pose 1: -7.747 kcal/mol
  • Pose 2: -7.6 kcal/mol
  • Pose 3: -7.466 kcal/mol
  • Pose 4: -7.381 kcal/mol
  • Pose 5: -7.351 kcal/mol
  • Pose 6: -7.32 kcal/mol
  • Pose 7: -7.157 kcal/mol
  • Pose 8: -7.075 kcal/mol
  • Pose 9: -7.016 kcal/mol
CHEMBL480712_dpp4
Energy Plot
RMSD Scatter Plot