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

Docking Result

CHEMBL2385271_dpp4

Atoms: 234
Models: 9
Best Energy: -8.291 kcal/mol

Binding Energies:
  • Pose 1: -8.291 kcal/mol
  • Pose 2: -7.939 kcal/mol
  • Pose 3: -7.905 kcal/mol
  • Pose 4: -7.873 kcal/mol
  • Pose 5: -7.841 kcal/mol
  • Pose 6: -7.694 kcal/mol
  • Pose 7: -7.634 kcal/mol
  • Pose 8: -7.335 kcal/mol
  • Pose 9: -7.235 kcal/mol
CHEMBL2385271_dpp4
Energy Plot
RMSD Scatter Plot