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

Docking Result

CHEMBL194496_dpp4

Atoms: 162
Models: 9
Best Energy: -5.276 kcal/mol

Binding Energies:
  • Pose 1: -5.276 kcal/mol
  • Pose 2: -5.067 kcal/mol
  • Pose 3: -4.918 kcal/mol
  • Pose 4: -4.854 kcal/mol
  • Pose 5: -4.806 kcal/mol
  • Pose 6: -4.607 kcal/mol
  • Pose 7: -4.468 kcal/mol
  • Pose 8: -4.351 kcal/mol
  • Pose 9: -4.321 kcal/mol
CHEMBL194496_dpp4
Energy Plot
RMSD Scatter Plot