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Figure 3 Flowchart of two FINDSITE-based component approaches (A) FINDSITE filt (B) FINDSITE X. FINDSITEfilt [12] employs a heuristic structure-pocket alignment procedure and a sequence dependent scoring function to rank the holo templates in step (B) above.
Next, a heuristic structure pocket alignment method is used to superimpose template pockets to the target structure and a sequence dependent scoring function to rank the best templates (based on the structure-pocket alignment) from whose their corresponding ligands will be used as reference small molecules in subsequent ligand based virtual screening.
Results: We present a profile-entropy dependent scoring function for low-homology protein threading.
These are easily obtained for each pair of ambiguous symbols as (11) In this section we have presented a general framework that helps to compute a translation dependent scoring function for DNA sequence pairs, parametrized by a codon substitution model and an evolutionary time measured in expected number of mutations per codon.
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In this present study, subjects who were severely nicotine dependent scored less in the PANSS negative symptoms.
We designed a powerful translation-dependent scoring function for nucleotide pairs, based on codon substitution models, whose purpose is to reflect the expected dynamics of coding DNA sequences.
The ploidy levels of the genomes did influence the scoring and hence the raw data was analysed to identify DArT markers which were not affected by this genome context-dependent scoring.
The alignment is evaluated using the sequence dependent score: SP - score = ∑ aligned residue a, b BLOSUM 62 a, b, (1).
To reduce false positives, especially for targets like GPCRs where almost all structures are similar (TM-score > 0.4), a sequence dependent score similar to the SP-score in Eq. (1) over the fr-TM-aligned residues is used instead of the TM-score.
c = p (VIPI × Dependent score) < 0.01.
The files containing translation dependent score matrices computed for several evolutionary distances can be downloaded at the same address.
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