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

Docking Result

CHEMBL5219939_dpp4

Atoms: 252
Models: 9
Best Energy: -8.091 kcal/mol

Binding Energies:
  • Pose 1: -8.091 kcal/mol
  • Pose 2: -8.008 kcal/mol
  • Pose 3: -7.565 kcal/mol
  • Pose 4: -7.389 kcal/mol
  • Pose 5: -7.296 kcal/mol
  • Pose 6: -7.215 kcal/mol
  • Pose 7: -7.15 kcal/mol
  • Pose 8: -7.135 kcal/mol
  • Pose 9: -7.13 kcal/mol
CHEMBL5219939_dpp4
Energy Plot
RMSD Scatter Plot