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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].
Using the HMAP profile-profile alignment program and a larger E-value cutoff of 10.0 a number of templates were identified, none with E-value better than 0.46, however.
The positions of these templates were identified using fluorescence imaging of the DNA-specific dyes.
The heavy and light chains templates were identified using the SWISS-MODEL workspace template identification portal.
A total of 1679 virtual hits with similarities to the templates were identified (CRT template=359, M1 teM2land=373, M3 teM3late=459 and M3 teM3late=488).
21 HLA-DR proteins of known structure suitable as modeling templates were identified in the Protein Data Bank (PDB; http://www.rcsb.org/pdb/) and evaluated for structural quality.
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When close templates are identified, high-resolution models could be built by the template-based methods.
Heterogenous methylated templates are identified from complex melting patterns that arise as a consequence of heteroduplex formation [ 31].
In the original 454 paper, wells containing templates are identified by detecting the key sequence 'TCAG' at the start of the sequence [ 24].
The homology-based methods can have a high accuracy of predictions when close templates are identified, but the accuracy decreases sharply when the sequence identity of target and template is low (e.g. <30%).
Potential derivatives with higher predicted activity values than the template were identified and a detailed analysis on the models applicability domain defined the designed compounds, whose estimations can be accepted with confidence.
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