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

Docking Result

CHEMBL4742308_dpp4

Atoms: 297
Models: 9
Best Energy: -8.151 kcal/mol

Binding Energies:
  • Pose 1: -8.151 kcal/mol
  • Pose 2: -8.119 kcal/mol
  • Pose 3: -7.951 kcal/mol
  • Pose 4: -7.931 kcal/mol
  • Pose 5: -7.904 kcal/mol
  • Pose 6: -7.842 kcal/mol
  • Pose 7: -7.83 kcal/mol
  • Pose 8: -7.754 kcal/mol
  • Pose 9: -7.727 kcal/mol
CHEMBL4742308_dpp4
Energy Plot
RMSD Scatter Plot