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

Docking Result

CHEMBL201644_dpp4

Atoms: 243
Models: 9
Best Energy: -8.838 kcal/mol

Binding Energies:
  • Pose 1: -8.838 kcal/mol
  • Pose 2: -8.184 kcal/mol
  • Pose 3: -7.924 kcal/mol
  • Pose 4: -7.64 kcal/mol
  • Pose 5: -7.632 kcal/mol
  • Pose 6: -7.608 kcal/mol
  • Pose 7: -7.577 kcal/mol
  • Pose 8: -7.387 kcal/mol
  • Pose 9: -7.205 kcal/mol
CHEMBL201644_dpp4
Energy Plot
RMSD Scatter Plot