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

Docking Result

CHEMBL1242939_dpp4

Atoms: 261
Models: 9
Best Energy: -8.209 kcal/mol

Binding Energies:
  • Pose 1: -8.209 kcal/mol
  • Pose 2: -8.028 kcal/mol
  • Pose 3: -7.992 kcal/mol
  • Pose 4: -7.974 kcal/mol
  • Pose 5: -7.956 kcal/mol
  • Pose 6: -7.823 kcal/mol
  • Pose 7: -7.743 kcal/mol
  • Pose 8: -7.672 kcal/mol
  • Pose 9: -7.605 kcal/mol
CHEMBL1242939_dpp4
Energy Plot
RMSD Scatter Plot