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

Docking Result

CHEMBL176262_dpp4

Atoms: 162
Models: 9
Best Energy: -6.547 kcal/mol

Binding Energies:
  • Pose 1: -6.547 kcal/mol
  • Pose 2: -6.472 kcal/mol
  • Pose 3: -6.442 kcal/mol
  • Pose 4: -6.412 kcal/mol
  • Pose 5: -6.239 kcal/mol
  • Pose 6: -6.181 kcal/mol
  • Pose 7: -6.096 kcal/mol
  • Pose 8: -6.093 kcal/mol
  • Pose 9: -5.918 kcal/mol
CHEMBL176262_dpp4
Energy Plot
RMSD Scatter Plot