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Aiming to better understand the structural factors responsible for selective BACE1 inhibition, we performed alignment studies, molecular dynamics (MD) simulations and docking studies to explore the recognition of four selective BACE1 inhibitors by aspartyl proteases.
We performed alignment and phylogenetic analysis separately on these repeat regions to ensure their accurate placement in the global SEP53 alignment (Figure 2, S1).
We performed alignment and tree building to elaborate a new approach to analyse the variability of sequences presenting more than one consensus sequence.
The use of DNA sequence comparisons for poor-quality sequences has the advantage that frame-shift artefacts arising from sequencing errors scarcely disturb the performed alignment.
TRM, RP and MED performed alignment, transcript assembly and analysis.
To map reads with higher divergence we additionally performed alignment with BFAST [ 51].
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In cases where homologous proteins (or homologous domains) were not present, we performed alignments with other nematode sequences.
AW performed alignments, analyzed sequencing ratios, and revised the manuscript.
We also performed alignments with different number of excluded gaps.
KEB carried out the protein and domain identifications, performed alignments, phylogenetic analyses, and drafted the manuscript.
AA and JH performed alignments, splice junction detection, gene based analysis and statistical analyses.
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