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In this process, sequences of multiple known structures, "templates", are compared to the OB-fold domain sequence of the α subunit (residues 978−1078).
A chemical structure template converted from the molecule shown in Figure 9 is illustrated in Figure 10. Figure 10 An example of a chemical structure template.
Different chemical structure templates correspond to the different possible orderings when traversing outgoing edges of each vertex.
This allowed us to compare our generated chemical structure templates with the given molecules in the data set.
Without these kinds of structures, templates (hard templates or soft templates) are usually used to promote the formation of tubular structures [21, 51].
Methods that predict putative structures from sequences are based either on features from databases of known structures (template-based methods) or use first principles of atomic interactions (ab initio or de novo methods).
JC developed or executed the tools that generate structures, templates, domains, DNA binding sites, and multiple sequence alignments.
The templates are then used by ad hoc algorithms to accurately align the sequences while taking into account the predicted structures (templates).
Given two sequences with a homolog in PDB, one can accurately superpose the PDB structures (templates) and map the resulting alignment onto the original sequences.
Here, we reveal how changes in amino acids sequence can influence the ability of fibrillar structures to template silica.
Instead, we attempt to generate a chemical structure template with physiochemical properties only.
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