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

Docking Result

CHEMBL403970_dpp4

Atoms: 243
Models: 9
Best Energy: -7.673 kcal/mol

Binding Energies:
  • Pose 1: -7.673 kcal/mol
  • Pose 2: -7.659 kcal/mol
  • Pose 3: -7.041 kcal/mol
  • Pose 4: -6.994 kcal/mol
  • Pose 5: -6.991 kcal/mol
  • Pose 6: -6.974 kcal/mol
  • Pose 7: -6.925 kcal/mol
  • Pose 8: -6.9 kcal/mol
  • Pose 9: -6.824 kcal/mol
CHEMBL403970_dpp4
Energy Plot
RMSD Scatter Plot