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

Docking Result

CHEMBL2159185_dpp4

Atoms: 261
Models: 9
Best Energy: -7.944 kcal/mol

Binding Energies:
  • Pose 1: -7.944 kcal/mol
  • Pose 2: -7.637 kcal/mol
  • Pose 3: -7.259 kcal/mol
  • Pose 4: -7.23 kcal/mol
  • Pose 5: -7.212 kcal/mol
  • Pose 6: -7.168 kcal/mol
  • Pose 7: -7.116 kcal/mol
  • Pose 8: -6.972 kcal/mol
  • Pose 9: -6.966 kcal/mol
CHEMBL2159185_dpp4
Energy Plot
RMSD Scatter Plot