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

Docking Result

CHEMBL113918_dpp4

Atoms: 198
Models: 9
Best Energy: -7.653 kcal/mol

Binding Energies:
  • Pose 1: -7.653 kcal/mol
  • Pose 2: -7.155 kcal/mol
  • Pose 3: -7.146 kcal/mol
  • Pose 4: -7.073 kcal/mol
  • Pose 5: -7.052 kcal/mol
  • Pose 6: -7.041 kcal/mol
  • Pose 7: -6.92 kcal/mol
  • Pose 8: -6.896 kcal/mol
  • Pose 9: -6.839 kcal/mol
CHEMBL113918_dpp4
Energy Plot
RMSD Scatter Plot