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

Docking Result

CHEMBL2346924_dpp4

Atoms: 306
Models: 9
Best Energy: -8.229 kcal/mol

Binding Energies:
  • Pose 1: -8.229 kcal/mol
  • Pose 2: -7.952 kcal/mol
  • Pose 3: -7.865 kcal/mol
  • Pose 4: -7.864 kcal/mol
  • Pose 5: -7.754 kcal/mol
  • Pose 6: -7.475 kcal/mol
  • Pose 7: -7.348 kcal/mol
  • Pose 8: -7.305 kcal/mol
  • Pose 9: -7.266 kcal/mol
CHEMBL2346924_dpp4
Energy Plot
RMSD Scatter Plot