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

Docking Result

CHEMBL3084940_dpp4

Atoms: 279
Models: 9
Best Energy: -8.243 kcal/mol

Binding Energies:
  • Pose 1: -8.243 kcal/mol
  • Pose 2: -8.095 kcal/mol
  • Pose 3: -8.006 kcal/mol
  • Pose 4: -7.995 kcal/mol
  • Pose 5: -7.901 kcal/mol
  • Pose 6: -7.749 kcal/mol
  • Pose 7: -7.621 kcal/mol
  • Pose 8: -7.522 kcal/mol
  • Pose 9: -7.366 kcal/mol
CHEMBL3084940_dpp4
Energy Plot
RMSD Scatter Plot