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

Docking Result

CHEMBL3329691_dpp4

Atoms: 270
Models: 9
Best Energy: -5.92 kcal/mol

Binding Energies:
  • Pose 1: -5.92 kcal/mol
  • Pose 2: -5.878 kcal/mol
  • Pose 3: -5.807 kcal/mol
  • Pose 4: -5.699 kcal/mol
  • Pose 5: -5.687 kcal/mol
  • Pose 6: -5.683 kcal/mol
  • Pose 7: -5.392 kcal/mol
  • Pose 8: -5.375 kcal/mol
  • Pose 9: -5.152 kcal/mol
CHEMBL3329691_dpp4
Energy Plot
RMSD Scatter Plot