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

Docking Result

CHEMBL248615_dpp4

Atoms: 297
Models: 9
Best Energy: -8.494 kcal/mol

Binding Energies:
  • Pose 1: -8.494 kcal/mol
  • Pose 2: -8.488 kcal/mol
  • Pose 3: -8.317 kcal/mol
  • Pose 4: -8.166 kcal/mol
  • Pose 5: -7.976 kcal/mol
  • Pose 6: -7.888 kcal/mol
  • Pose 7: -7.878 kcal/mol
  • Pose 8: -7.838 kcal/mol
  • Pose 9: -7.776 kcal/mol
CHEMBL248615_dpp4
Energy Plot
RMSD Scatter Plot