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Thompson et al. synthesised a library of structures via the Ugi reaction using ammonia, and replacing methanol with the less nucleophilic solvent TFE suppressed formation of the 6-CC product in favour of the desired 4-CC product (Thompson & Chen, 2009).
These threading methods compare the query sequence (the target) with a library of structures (templates) and return 10 alignments that scored best according to the implemented criterion of compatibility.
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In threading, a target protein sequence is aligned with a library of structural templates from known structures in the Protein Data Bank (PDB), and a sequence-to-structure alignment for each template is evaluated to identify the fold with best "fit" [28], [40], [41].
Structures similar to the query are identified by using MAMMOTH [26] against a library of protein structures with bound ligands.
Bioclipse Decision Support provides a framework for running exact match queries against a library of chemical structures, which was demonstrated for 3 open safety endpoints [18].
The objective of this approach is to obtain a library of model structures that map input changes such as humidity, ambient temperature, exercise, and so on, to dynamic thermoregulatory responses such the core temperature, skin temperature, muscle temperature, sweat rate and so on.
This allowed for a rapid generation of a library of neoPG structures, which were screened in a microarray format for binding of FGF2.
A library of 13,918 structures from CSD representing 11,057 compounds were finally compiled, whose purchasing information is annotated by ZINC purchasable database.
Helixhunter's results can in turn be used to probe a library of secondary structure elements derived from the structures in the Protein Data Bank (PDB).
Edison is a library of functional data structures implemented in Haskell.
A library of over 70 structures was developed for the rapid characterization of rMab.
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