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

Docking Result

CHEMBL3798691_dpp4

Atoms: 351
Models: 9
Best Energy: -9.1 kcal/mol

Binding Energies:
  • Pose 1: -9.1 kcal/mol
  • Pose 2: -8.944 kcal/mol
  • Pose 3: -8.85 kcal/mol
  • Pose 4: -8.238 kcal/mol
  • Pose 5: -8.212 kcal/mol
  • Pose 6: -8.186 kcal/mol
  • Pose 7: -8.131 kcal/mol
  • Pose 8: -8.124 kcal/mol
  • Pose 9: -7.773 kcal/mol
CHEMBL3798691_dpp4
Energy Plot
RMSD Scatter Plot