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Incorrect thread cleanup, and an idle thread that takes up non-idle time will also be penalized.
Models based on different target-template alignments have been compared to test QMEANBrane's capability of detecting incorrect alignments, particularly alignment shifts in transmembrane helices.
The initial comparative modeling templates were identified using the secondary structure enhanced profile-profile threading alignment (LOMETS) and the four part iterative threading assembly refinement protocol of I-TASSER [38] [39].
To avoid bias toward a specific structure alignment tool, we evaluate threading alignment accuracy using all the reference alignments mentioned above.
The expected TM-score of one threading alignment is defined as follows: (5) where N(A) is the smaller length of the two proteins and MAG i is the marginal alignment probability at alignment position i.
For SE alignment, a thread aligns a single read at a time and then reads a new read from the input file immediately after finishing the current alignment.
The comparisons of the final models with the initial threading alignments are shown in Figure 3 (A,B; circles).
Result: We developed a new protein domain predictor, ThreaDom, which deduces domain boundary locations based on multiple threading alignments.
This example highlights the power of ThreaDom in extracting correct domain information from distantly homologous threading alignments by combining multiple domain and alignment gap/insertion information.
Therefore, even if the threading alignments are pretty good, they may still have very low accuracy when judged by the 'imperfect' reference alignments.
The average Cα-RMSD and TM-score of the initial threading alignments were 6.1Å and 0.53 respectively, but after I-TASSER simulations, they improved to 3.4Å and 0.65.
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