Sentence examples for docking structures of the from inspiring English sources

Furthermore, the docking structures of the mouse AZ-ODC and AZ-AZI complexes suggest that ODC and AZI may occupy the same binding site on AZ [49].

Based on the models the structure features of NA and M2 proteins were analyzed, the docking structures of drug protein complexes were computed, and the residue mutations were annotated.

We selected docked structures of heparin from the lowest energy clusters obtained in our calculations to assemble two distinct catB-heparin complexes, in which heparin was bound to either one or the other of the two catB domains.

(B ) The computationally docked structure of 20(S )-OHC (stick representation; carbon: orange, oxygen: red) in complex with the zSmo CRD suggests energetically favorable interactions between the two molecules with an estimated free binding energy of −9.0 kcal/mol and estimated inhibition constant, Ki, equal to 260 nM.

The query for the ROCS was the Glide XP docked structure poses of the active compound VIII.

DOI: http://dx.doi.org/10.7554/eLife.07380.009 Docking the structures of the closed complex back into the tomographic volume reveals their three-dimensional distribution in the cell.

The docking structure of compound 43 with Src disclosed that the chlorobenzodioxole moiety and pyrrolidine ring of C-6 quinazoline appeared to fit tightly into the hydrophobic pocket of Src.

After docking, the structures of the docked ligands appear to be well attached to the siRNA double-helix, making extensive use of interactions between the peptide and the major groove of siRNA.

We have also improved Figure 5B by docking our structure of the T4P into the open state of the machinery.

(A ) A model for a complex of one HpHb dimer bound to two receptors, generated by docking the structure of the TbHpHbR:HpSPHb complex onto that of porcine HpHb (Andersen et al., 2012 ).

Before docking the structures of all molecules were drawn using ACD/ChemSketch [ 35].