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

Docking Result

CHEMBL3806041_dpp4

Atoms: 297
Models: 9
Best Energy: -8.338 kcal/mol

Binding Energies:
  • Pose 1: -8.338 kcal/mol
  • Pose 2: -8.275 kcal/mol
  • Pose 3: -8.27 kcal/mol
  • Pose 4: -8.259 kcal/mol
  • Pose 5: -8.192 kcal/mol
  • Pose 6: -8.124 kcal/mol
  • Pose 7: -8.014 kcal/mol
  • Pose 8: -7.935 kcal/mol
  • Pose 9: -7.776 kcal/mol
CHEMBL3806041_dpp4
Energy Plot
RMSD Scatter Plot