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

Docking Result

CHEMBL6161198_dpp4

Atoms: 441
Models: 9
Best Energy: -7.961 kcal/mol

Binding Energies:
  • Pose 1: -7.961 kcal/mol
  • Pose 2: -7.898 kcal/mol
  • Pose 3: -7.85 kcal/mol
  • Pose 4: -7.677 kcal/mol
  • Pose 5: -7.675 kcal/mol
  • Pose 6: -7.569 kcal/mol
  • Pose 7: -7.483 kcal/mol
  • Pose 8: -7.248 kcal/mol
  • Pose 9: -7.031 kcal/mol
CHEMBL6161198_dpp4
Energy Plot
RMSD Scatter Plot