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

Docking Result

CHEMBL208964_dpp4

Atoms: 225
Models: 9
Best Energy: -8.049 kcal/mol

Binding Energies:
  • Pose 1: -8.049 kcal/mol
  • Pose 2: -7.622 kcal/mol
  • Pose 3: -7.557 kcal/mol
  • Pose 4: -7.529 kcal/mol
  • Pose 5: -7.473 kcal/mol
  • Pose 6: -7.459 kcal/mol
  • Pose 7: -7.387 kcal/mol
  • Pose 8: -7.376 kcal/mol
  • Pose 9: -7.356 kcal/mol
CHEMBL208964_dpp4
Energy Plot
RMSD Scatter Plot