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

Docking Result

CHEMBL194993_dpp4

Atoms: 225
Models: 9
Best Energy: -7.486 kcal/mol

Binding Energies:
  • Pose 1: -7.486 kcal/mol
  • Pose 2: -7.366 kcal/mol
  • Pose 3: -7.015 kcal/mol
  • Pose 4: -7.012 kcal/mol
  • Pose 5: -6.932 kcal/mol
  • Pose 6: -6.835 kcal/mol
  • Pose 7: -6.798 kcal/mol
  • Pose 8: -6.787 kcal/mol
  • Pose 9: -6.727 kcal/mol
CHEMBL194993_dpp4
Energy Plot
RMSD Scatter Plot