Sentence examples for bound and unbound structures from inspiring English sources

This is a non-redundant benchmark of complexes of which both bound and unbound structures are available.

Additional major differences between the bound and unbound structures are observed in the 20, 200, and 250 loops.

In order to clarify the sensitivity of our prediction to the conformational changes of proteins, we divided the dataset into three subsets, according to the all-atom RMSD values of the binding site residues between the bound and unbound structures; that is, (i) RMSD < 1.0 Å (17 pairs), (ii) 1.0 Å ≤ RMSD < 2.0 Å (13 pairs) and (iii) 2.0 Å ≤ RMSD (five pairs).

Computational prediction of hot spots on bound and unbound structures might be useful to find druggable sites on target interfaces.

Table 3 Prediction success of PocketPicker on 48 bound and unbound structures.

Comparison of the bound and unbound structures reveals no major conformational changes upon carbohydrate recognition.

The ATP-γ-S bound and unbound crystal structures of the vaccinia polymerase reveal an unusual architecture for VP55 that comprises of N-terminal, central or catalytic, and C-terminal domains with different topologies and that differs from many polymerases, including the eukaryotic poly(A) polymerases.

Comparison of the ligand bound and unbound crystal structures has revealed the conformational changes of AChBPs or nAChRs upon the ligand binding.

The 28 complexes in the test set were modelled using both randomly oriented bound structures and unbound structures.

We retrieved 352 protein complex structures from a standard protein-protein docking benchmark set (ZLAB Benchmark 4.0) [ 23], which contained bound and unbound forms of the protein structures.

However, packing effects also explain the large structural similarity observed for the different ligand-bound and unbound structures, although such a structural similarity does not permit to rationalize the effect of deletion of the N-terminal residues on the binding affinities of certain ligands nor the pH sensitivity of NP7.