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

Docking Result

CHEMBL236084_dpp4

Atoms: 297
Models: 9
Best Energy: -9.906 kcal/mol

Binding Energies:
  • Pose 1: -9.906 kcal/mol
  • Pose 2: -9.367 kcal/mol
  • Pose 3: -9.293 kcal/mol
  • Pose 4: -9.265 kcal/mol
  • Pose 5: -9.156 kcal/mol
  • Pose 6: -9.141 kcal/mol
  • Pose 7: -9.124 kcal/mol
  • Pose 8: -9.01 kcal/mol
  • Pose 9: -8.987 kcal/mol
CHEMBL236084_dpp4
Energy Plot
RMSD Scatter Plot