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

Docking Result

CHEMBL2178972_dpp4

Atoms: 288
Models: 9
Best Energy: -8.119 kcal/mol

Binding Energies:
  • Pose 1: -8.119 kcal/mol
  • Pose 2: -7.984 kcal/mol
  • Pose 3: -7.903 kcal/mol
  • Pose 4: -7.789 kcal/mol
  • Pose 5: -7.629 kcal/mol
  • Pose 6: -7.548 kcal/mol
  • Pose 7: -7.47 kcal/mol
  • Pose 8: -7.443 kcal/mol
  • Pose 9: -7.336 kcal/mol
CHEMBL2178972_dpp4
Energy Plot
RMSD Scatter Plot