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

Docking Result

CHEMBL257036_dpp4

Atoms: 144
Models: 9
Best Energy: -6.298 kcal/mol

Binding Energies:
  • Pose 1: -6.298 kcal/mol
  • Pose 2: -6.226 kcal/mol
  • Pose 3: -6.142 kcal/mol
  • Pose 4: -6.13 kcal/mol
  • Pose 5: -6.074 kcal/mol
  • Pose 6: -5.941 kcal/mol
  • Pose 7: -5.935 kcal/mol
  • Pose 8: -5.549 kcal/mol
  • Pose 9: -5.448 kcal/mol
CHEMBL257036_dpp4
Energy Plot
RMSD Scatter Plot