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

Docking Result

CHEMBL3084943_dpp4

Atoms: 279
Models: 9
Best Energy: -8.227 kcal/mol

Binding Energies:
  • Pose 1: -8.227 kcal/mol
  • Pose 2: -7.501 kcal/mol
  • Pose 3: -7.446 kcal/mol
  • Pose 4: -7.311 kcal/mol
  • Pose 5: -7.3 kcal/mol
  • Pose 6: -7.277 kcal/mol
  • Pose 7: -7.157 kcal/mol
  • Pose 8: -7.138 kcal/mol
  • Pose 9: -7.071 kcal/mol
CHEMBL3084943_dpp4
Energy Plot
RMSD Scatter Plot