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

Docking Result

CHEMBL96299_dpp4

Atoms: 171
Models: 9
Best Energy: -5.852 kcal/mol

Binding Energies:
  • Pose 1: -5.852 kcal/mol
  • Pose 2: -5.59 kcal/mol
  • Pose 3: -5.54 kcal/mol
  • Pose 4: -5.489 kcal/mol
  • Pose 5: -5.451 kcal/mol
  • Pose 6: -5.422 kcal/mol
  • Pose 7: -5.382 kcal/mol
  • Pose 8: -5.324 kcal/mol
  • Pose 9: -5.21 kcal/mol
CHEMBL96299_dpp4
Energy Plot
RMSD Scatter Plot