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

Docking Result

CHEMBL317312_dpp4

Atoms: 216
Models: 9
Best Energy: -6.831 kcal/mol

Binding Energies:
  • Pose 1: -6.831 kcal/mol
  • Pose 2: -6.776 kcal/mol
  • Pose 3: -6.745 kcal/mol
  • Pose 4: -6.506 kcal/mol
  • Pose 5: -6.504 kcal/mol
  • Pose 6: -6.468 kcal/mol
  • Pose 7: -6.454 kcal/mol
  • Pose 8: -6.442 kcal/mol
  • Pose 9: -6.439 kcal/mol
CHEMBL317312_dpp4
Energy Plot
RMSD Scatter Plot