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

Docking Result

CHEMBL3233573_dpp4

Atoms: 279
Models: 9
Best Energy: -8.909 kcal/mol

Binding Energies:
  • Pose 1: -8.909 kcal/mol
  • Pose 2: -8.488 kcal/mol
  • Pose 3: -8.342 kcal/mol
  • Pose 4: -8.266 kcal/mol
  • Pose 5: -8.169 kcal/mol
  • Pose 6: -8.023 kcal/mol
  • Pose 7: -8.007 kcal/mol
  • Pose 8: -7.986 kcal/mol
  • Pose 9: -7.921 kcal/mol
CHEMBL3233573_dpp4
Energy Plot
RMSD Scatter Plot