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

Docking Result

CHEMBL4582763_dpp4

Atoms: 162
Models: 9
Best Energy: -6.226 kcal/mol

Binding Energies:
  • Pose 1: -6.226 kcal/mol
  • Pose 2: -5.848 kcal/mol
  • Pose 3: -5.713 kcal/mol
  • Pose 4: -5.616 kcal/mol
  • Pose 5: -5.592 kcal/mol
  • Pose 6: -5.464 kcal/mol
  • Pose 7: -5.451 kcal/mol
  • Pose 8: -5.401 kcal/mol
  • Pose 9: -5.249 kcal/mol
CHEMBL4582763_dpp4
Energy Plot
RMSD Scatter Plot