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

Docking Result

CHEMBL374688_dpp4

Atoms: 207
Models: 9
Best Energy: -7.051 kcal/mol

Binding Energies:
  • Pose 1: -7.051 kcal/mol
  • Pose 2: -7.033 kcal/mol
  • Pose 3: -6.628 kcal/mol
  • Pose 4: -6.563 kcal/mol
  • Pose 5: -6.518 kcal/mol
  • Pose 6: -6.517 kcal/mol
  • Pose 7: -6.392 kcal/mol
  • Pose 8: -6.341 kcal/mol
  • Pose 9: -6.31 kcal/mol
CHEMBL374688_dpp4
Energy Plot
RMSD Scatter Plot