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

Docking Result

CHEMBL4249750_dpp4

Atoms: 234
Models: 9
Best Energy: -9.189 kcal/mol

Binding Energies:
  • Pose 1: -9.189 kcal/mol
  • Pose 2: -8.533 kcal/mol
  • Pose 3: -8.468 kcal/mol
  • Pose 4: -8.385 kcal/mol
  • Pose 5: -8.116 kcal/mol
  • Pose 6: -7.989 kcal/mol
  • Pose 7: -7.914 kcal/mol
  • Pose 8: -7.87 kcal/mol
  • Pose 9: -7.793 kcal/mol
CHEMBL4249750_dpp4
Energy Plot
RMSD Scatter Plot