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

Docking Result

CHEMBL2069840_dpp4

Atoms: 297
Models: 9
Best Energy: -8.67 kcal/mol

Binding Energies:
  • Pose 1: -8.67 kcal/mol
  • Pose 2: -8.059 kcal/mol
  • Pose 3: -7.993 kcal/mol
  • Pose 4: -7.933 kcal/mol
  • Pose 5: -7.916 kcal/mol
  • Pose 6: -7.882 kcal/mol
  • Pose 7: -7.852 kcal/mol
  • Pose 8: -7.841 kcal/mol
  • Pose 9: -7.795 kcal/mol
CHEMBL2069840_dpp4
Energy Plot
RMSD Scatter Plot