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

Docking Result

CHEMBL428936_dpp4

Atoms: 252
Models: 9
Best Energy: -8.11 kcal/mol

Binding Energies:
  • Pose 1: -8.11 kcal/mol
  • Pose 2: -7.717 kcal/mol
  • Pose 3: -7.697 kcal/mol
  • Pose 4: -7.66 kcal/mol
  • Pose 5: -7.549 kcal/mol
  • Pose 6: -7.448 kcal/mol
  • Pose 7: -7.247 kcal/mol
  • Pose 8: -7.106 kcal/mol
  • Pose 9: -6.979 kcal/mol
CHEMBL428936_dpp4
Energy Plot
RMSD Scatter Plot