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

Docking Result

CHEMBL287847_dpp4

Atoms: 234
Models: 9
Best Energy: -7.876 kcal/mol

Binding Energies:
  • Pose 1: -7.876 kcal/mol
  • Pose 2: -7.615 kcal/mol
  • Pose 3: -7.575 kcal/mol
  • Pose 4: -7.448 kcal/mol
  • Pose 5: -7.201 kcal/mol
  • Pose 6: -7.177 kcal/mol
  • Pose 7: -7.173 kcal/mol
  • Pose 8: -7.102 kcal/mol
  • Pose 9: -7.062 kcal/mol
CHEMBL287847_dpp4
Energy Plot
RMSD Scatter Plot