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

Docking Result

CHEMBL3903674_dpp4

Atoms: 369
Models: 9
Best Energy: -7.575 kcal/mol

Binding Energies:
  • Pose 1: -7.575 kcal/mol
  • Pose 2: -7.503 kcal/mol
  • Pose 3: -7.259 kcal/mol
  • Pose 4: -7.229 kcal/mol
  • Pose 5: -7.196 kcal/mol
  • Pose 6: -7.179 kcal/mol
  • Pose 7: -7.149 kcal/mol
  • Pose 8: -7.114 kcal/mol
  • Pose 9: -7.094 kcal/mol
CHEMBL3903674_dpp4
Energy Plot
RMSD Scatter Plot