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

Docking Result

CHEMBL3939916_dpp4

Atoms: 324
Models: 9
Best Energy: -8.578 kcal/mol

Binding Energies:
  • Pose 1: -8.578 kcal/mol
  • Pose 2: -8.097 kcal/mol
  • Pose 3: -7.943 kcal/mol
  • Pose 4: -7.943 kcal/mol
  • Pose 5: -7.858 kcal/mol
  • Pose 6: -7.683 kcal/mol
  • Pose 7: -7.64 kcal/mol
  • Pose 8: -7.5 kcal/mol
  • Pose 9: -7.492 kcal/mol
CHEMBL3939916_dpp4
Energy Plot
RMSD Scatter Plot