Sentence examples for template structure as from inspiring English sources

In the figure the results are plotted against the TM-score of the models to show the dependency on the similarity of the target and template structure (as measured by the TM-score between the predicted model and the native structure).

State-of-the-art methods can be classified into three groups: Template-based methods: these methods (Laskowski et al., 2005; Stark and Russell, 2003; Wallace et al., 1997) accept a template structure as input (e.g. catalytic triad in serine proteases) and query a given structural database for matching patterns.

The knowledge of the surroundings has a considerable effect on the energy calculation and hence on the correct ranking of the various template structures, as well.

Future improvements will include modelling based on multiple template structures, as well as iterative alignment, fitting and refinement using a combination of CCF and statistical potential scores (Topf et al., 2005, 2006).

Such alignments can be used for similarity-based identification of new compounds by using known active template structures as seeds.

The X-ray structure of IgFLNa17-GPIbα complex (pdb-code: 2BP3) [14] was used as a template structure to model the IgFLNa23 into peptide-binding conformation.

In this study, we took lowest energy conformation of the most rigid and highly active molecule (No. 82) as the template structure for the alignment.

The sequence of mTOR was retrieved from the Swiss-Prot database and the crystal structure of the PI3K-α [29] was used as the template structure for homology modeling of mTOR structure.

The crystal structure of the PRI (PDB entry 2BNH) was used as the template structure for modeling of GmRLK18-1.

The three-dimensional structure of the avidin-biotin complex (PDB code: 2avi [ 17]) obtained from the Protein Data Bank [ 43] was used as a template structure in BBP modelling.

Therefore, we used the latter crystal structure of Ll6PGDH in complex with NADP+ and PEX (compound A, Fig. 2) as a template structure for virtual screening.