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

Docking Result

CHEMBL35451_dpp4

Atoms: 234
Models: 9
Best Energy: -8.167 kcal/mol

Binding Energies:
  • Pose 1: -8.167 kcal/mol
  • Pose 2: -7.943 kcal/mol
  • Pose 3: -7.484 kcal/mol
  • Pose 4: -7.428 kcal/mol
  • Pose 5: -7.261 kcal/mol
  • Pose 6: -7.178 kcal/mol
  • Pose 7: -7.139 kcal/mol
  • Pose 8: -6.823 kcal/mol
  • Pose 9: -6.637 kcal/mol
CHEMBL35451_dpp4
Energy Plot
RMSD Scatter Plot