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

Docking Result

CHEMBL2058759_dpp4

Atoms: 297
Models: 9
Best Energy: -8.505 kcal/mol

Binding Energies:
  • Pose 1: -8.505 kcal/mol
  • Pose 2: -7.901 kcal/mol
  • Pose 3: -7.836 kcal/mol
  • Pose 4: -7.786 kcal/mol
  • Pose 5: -7.727 kcal/mol
  • Pose 6: -7.661 kcal/mol
  • Pose 7: -7.659 kcal/mol
  • Pose 8: -7.557 kcal/mol
  • Pose 9: -7.539 kcal/mol
CHEMBL2058759_dpp4
Energy Plot
RMSD Scatter Plot