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Both reference and query datasets have 256 sequences, and the execution time was measured in seconds.
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The 3D similarity searching methods rely on the generation of active conformations for both references and queries, which are difficult to obtain for some flexible compounds and involve high computational cost.
BWA-SW builds FM-indices for both the reference and query sequence.
The impact of different average reference lengths on GPU performance was also investigated and the results are shown in Table 3, where both the reference and query dataset contained 256 sequences.
Pairwise matches that are present in the LIS chain for both the reference and query sequences (delta-filter -1) are saved for use in the multiple alignment and can include inversions.
The SiteHopper tool was utilized to generate binding site patches and to assess pairwise structure similarity between reference and query patches.
To ensure that all possible alignments were found, the reference and query files were swapped and each pair was reanalyzed.
Nucleotide differences in reference and query sequences are indicated as underlined and uppercased alphabets, respectively.
In general, reference and query sets are provided separately; if only one dataset is provided, it can be randomly divided over reference and query data in order to test the efficacy of the method.
The impact of different RBSs on the GPU performance, where reference and query datasets have 256 and 32 sequences, respectively.
Instead of sequence similarity, they use the phylogenetic signal in the reference and query sequences to attain higher classification accuracy.
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