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

Docking Result

CHEMBL415647_dpp4

Atoms: 207
Models: 9
Best Energy: -6.412 kcal/mol

Binding Energies:
  • Pose 1: -6.412 kcal/mol
  • Pose 2: -6.337 kcal/mol
  • Pose 3: -6.335 kcal/mol
  • Pose 4: -6.141 kcal/mol
  • Pose 5: -6.13 kcal/mol
  • Pose 6: -5.986 kcal/mol
  • Pose 7: -5.964 kcal/mol
  • Pose 8: -5.941 kcal/mol
  • Pose 9: -5.849 kcal/mol
CHEMBL415647_dpp4
Energy Plot
RMSD Scatter Plot