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

Docking Result

CHEMBL1683107_dpp4

Atoms: 297
Models: 9
Best Energy: -8.483 kcal/mol

Binding Energies:
  • Pose 1: -8.483 kcal/mol
  • Pose 2: -8.461 kcal/mol
  • Pose 3: -8.406 kcal/mol
  • Pose 4: -8.163 kcal/mol
  • Pose 5: -7.867 kcal/mol
  • Pose 6: -7.736 kcal/mol
  • Pose 7: -7.699 kcal/mol
  • Pose 8: -7.523 kcal/mol
  • Pose 9: -7.335 kcal/mol
CHEMBL1683107_dpp4
Energy Plot
RMSD Scatter Plot