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

Docking Result

CHEMBL4641140_dpp4

Atoms: 198
Models: 9
Best Energy: -8.112 kcal/mol

Binding Energies:
  • Pose 1: -8.112 kcal/mol
  • Pose 2: -8.1 kcal/mol
  • Pose 3: -8.019 kcal/mol
  • Pose 4: -7.776 kcal/mol
  • Pose 5: -7.557 kcal/mol
  • Pose 6: -7.536 kcal/mol
  • Pose 7: -7.503 kcal/mol
  • Pose 8: -7.136 kcal/mol
  • Pose 9: -7.111 kcal/mol
CHEMBL4641140_dpp4
Energy Plot
RMSD Scatter Plot