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

Docking Result

CHEMBL4642801_dpp4

Atoms: 342
Models: 9
Best Energy: -8.674 kcal/mol

Binding Energies:
  • Pose 1: -8.674 kcal/mol
  • Pose 2: -8.665 kcal/mol
  • Pose 3: -8.58 kcal/mol
  • Pose 4: -8.566 kcal/mol
  • Pose 5: -8.423 kcal/mol
  • Pose 6: -8.315 kcal/mol
  • Pose 7: -8.173 kcal/mol
  • Pose 8: -7.991 kcal/mol
  • Pose 9: -7.738 kcal/mol
CHEMBL4642801_dpp4
Energy Plot
RMSD Scatter Plot