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

Docking Result

CHEMBL428369_dpp4

Atoms: 198
Models: 9
Best Energy: -7.2 kcal/mol

Binding Energies:
  • Pose 1: -7.2 kcal/mol
  • Pose 2: -7.16 kcal/mol
  • Pose 3: -7.152 kcal/mol
  • Pose 4: -7.117 kcal/mol
  • Pose 5: -7.031 kcal/mol
  • Pose 6: -6.661 kcal/mol
  • Pose 7: -6.621 kcal/mol
  • Pose 8: -6.605 kcal/mol
  • Pose 9: -6.506 kcal/mol
CHEMBL428369_dpp4
Energy Plot
RMSD Scatter Plot