Sentence examples for modelled structures to from inspiring English sources

Then, we examined the percentages of polar and non-polar ASA in the three modelled structures to test for differences which could explain the stability behaviour observed among the three PsTRXs, by using the VADAR website [47] (Table 5).

Hence, these findings and modelled structures can be used to design HLA-DRB1 binding peptides to overcome low prediction accuracy of HLA class II binding peptides.

Models with the highest C-scores and conformation similarities to other modelled structures were used for further analysis.

We also used algorithms that predict the accessibility [ 51] and reactivity [ 52] of cysteine residues together with modelled structures of NT2 NT3 [ 53] to identify cysteine residues that might account for the differential sensitivities of IP3R1 IP3R3 to thimerosal.

A phenetic analysis of RMSD distances obtained by superposition of the modelled structures revealed that structural variability in the TIR domain of all three receptors was lower than ECD variability (see Additional file 2: Figures S4d, S4e and S4f).

The VADAR web-server was used to predict the structural parameters of the modelled structures [47] (http://redpoll.pharmacy.ualberta.ca/vadar/).ualberta.ca/vadar/

For all the 3D modelled structures, a set of structural properties were computed, including: i) the Druggability Score (DS) for each pocket, ii) the active site residues (if available) according to the template structures, iii) the conserved or family relevant residues.

We finally used the modelled structures of the S. mansoni glucose transporters to biophysically (i) analyze the dynamics of key residues during glucose binding, (ii) test glucose stability within the active site, and (iii) demonstrate glucose diffusion.

On the other hand, the SNP effects on protein functions were inferred by modelled structures because the molecular modelling method has been found useful for estimating the effects of the substitution of amino acid residues on protein function.

While the coverage of our method is currently somewhat limited by the need for a structure of the protein, we plan to investigate the use of modelled structures.

Numerical determination and variation of tortuosity by closing structure windows provided a possibility to match the pressure drop calculated in modelled structures with experimental literature data.