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

Docking Result

CHEMBL176211_dpp4

Atoms: 162
Models: 9
Best Energy: -7.097 kcal/mol

Binding Energies:
  • Pose 1: -7.097 kcal/mol
  • Pose 2: -6.894 kcal/mol
  • Pose 3: -6.852 kcal/mol
  • Pose 4: -6.845 kcal/mol
  • Pose 5: -6.709 kcal/mol
  • Pose 6: -6.364 kcal/mol
  • Pose 7: -6.356 kcal/mol
  • Pose 8: -6.265 kcal/mol
  • Pose 9: -6.175 kcal/mol
CHEMBL176211_dpp4
Energy Plot
RMSD Scatter Plot