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

Docking Result

CHEMBL3902771_dpp4

Atoms: 360
Models: 9
Best Energy: -7.689 kcal/mol

Binding Energies:
  • Pose 1: -7.689 kcal/mol
  • Pose 2: -7.627 kcal/mol
  • Pose 3: -7.503 kcal/mol
  • Pose 4: -7.341 kcal/mol
  • Pose 5: -7.283 kcal/mol
  • Pose 6: -7.266 kcal/mol
  • Pose 7: -7.26 kcal/mol
  • Pose 8: -7.238 kcal/mol
  • Pose 9: -6.977 kcal/mol
CHEMBL3902771_dpp4
Energy Plot
RMSD Scatter Plot