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

Docking Result

CHEMBL195335_dpp4

Atoms: 207
Models: 9
Best Energy: -7.668 kcal/mol

Binding Energies:
  • Pose 1: -7.668 kcal/mol
  • Pose 2: -7.447 kcal/mol
  • Pose 3: -7.115 kcal/mol
  • Pose 4: -7.075 kcal/mol
  • Pose 5: -7 kcal/mol
  • Pose 6: -6.986 kcal/mol
  • Pose 7: -6.9 kcal/mol
  • Pose 8: -6.897 kcal/mol
  • Pose 9: -6.733 kcal/mol
CHEMBL195335_dpp4
Energy Plot
RMSD Scatter Plot