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

Docking Result

CHEMBL3112967_dpp4

Atoms: 279
Models: 9
Best Energy: -7.806 kcal/mol

Binding Energies:
  • Pose 1: -7.806 kcal/mol
  • Pose 2: -7.729 kcal/mol
  • Pose 3: -7.538 kcal/mol
  • Pose 4: -7.324 kcal/mol
  • Pose 5: -7.304 kcal/mol
  • Pose 6: -7.293 kcal/mol
  • Pose 7: -7.227 kcal/mol
  • Pose 8: -7.167 kcal/mol
  • Pose 9: -7.116 kcal/mol
CHEMBL3112967_dpp4
Energy Plot
RMSD Scatter Plot