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

Docking Result

CHEMBL565056_dpp4

Atoms: 297
Models: 9
Best Energy: -8.15 kcal/mol

Binding Energies:
  • Pose 1: -8.15 kcal/mol
  • Pose 2: -8.149 kcal/mol
  • Pose 3: -7.979 kcal/mol
  • Pose 4: -7.857 kcal/mol
  • Pose 5: -7.826 kcal/mol
  • Pose 6: -7.816 kcal/mol
  • Pose 7: -7.709 kcal/mol
  • Pose 8: -7.639 kcal/mol
  • Pose 9: -7.59 kcal/mol
CHEMBL565056_dpp4
Energy Plot
RMSD Scatter Plot