Sentence examples for unbound structure from inspiring English sources

These two plots are obtained using the unbound structure of the protein.

This shows that the binding information is already present in the unbound structure.

ANP-PNP was modeled by superimposing the nucleotide unbound structure to the ANP-PNP bound structure of EGFR PDBB: 2ITN).

In fact, out of the 2987 true interface residues, 423 (14.2%) were missing or buried in the unbound structure.

All of the residues observed in Figure 1a are obtained from the apo structure, indicating that the information for binding is already present in the unbound structure.

According to our results, obtained by using the unbound structure, 1K9P.pdb, the residue pairs with the highest total correlation appear around the residues Lys31 and Leu60.

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.

By structural and atomistic comparison of the simulated unbound structures of the dephosphorylated (denoted GSK-3β·ATP) and the phosphorylated (denoted GSK-3β(p)·ATP) complexes, we show that the autophosphorylation event at Tyr is likely to render the kinase active by controlling accessibility.

Structural alignments were performed to compare active site predictions for the unbound structures with the actual binding pocket given by the protein-ligand complex.

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

Unbound structures were aligned with the corresponding complex using the "align" command of PyMOL [28].