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

Docking Result

CHEMBL6142024_dpp4

Atoms: 441
Models: 9
Best Energy: -8.441 kcal/mol

Binding Energies:
  • Pose 1: -8.441 kcal/mol
  • Pose 2: -8.298 kcal/mol
  • Pose 3: -8.225 kcal/mol
  • Pose 4: -7.92 kcal/mol
  • Pose 5: -7.91 kcal/mol
  • Pose 6: -7.807 kcal/mol
  • Pose 7: -7.756 kcal/mol
  • Pose 8: -7.755 kcal/mol
  • Pose 9: -7.674 kcal/mol
CHEMBL6142024_dpp4
Energy Plot
RMSD Scatter Plot