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Not only need the graph be less densely connected than the all versus all matrix, thus saving computational effort, but also there is the added benefit that the incremental updates of the structural similarity graph and the choice of structural representatives are completely decoupled.
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Once again, inspection of these structural representatives reveals the organising principle behind the classification: (c -like struc -likehave an extended structures, and are dominated by interactions among thaveeptide bond moieties, wherean (b)-likextendeduresideve a well-formed H-bond between the side chain and one of the two barebone O atoms.
The ligands were docked onto the six structural representatives of human α-syn in aqueous solution.
Where possible, structural representatives of different scaffolds were purchased and retested on AfAGM1.
Structural representatives of these GTs are hydrophobic integral membrane proteins, and perhaps not surprisingly all GT-C enzymes characterised to date use lipid phosphate-linked sugar donors.
The Protein Data Bank (PDB) has structural representatives for all 20 members of aaRS family.
P. falciparum apPOL, the first structural representative of a plastidic A-family polymerase, diverges from typical A-family members in two of three previously identified signature motifs and in a region not implicated by sequence.
The idea is to select the superfamily member that is the best structural representative of the superfamily.
Notably, all of the 33 enzymes with a solved 3-D structure have been assigned to a subfamily, resulting in thirteen individual subfamilies out of 51 with at least one structural representative.
A variety of avenues for further research and investigation are suggested, including automated structure type classification, low-symmetry improper ferroelectrics, and high-throughput first-principles searches for additional representatives of structural families with desirable functional properties.
Most components of the central metabolic pathways were quantified, as well as essentially all components of the ribosomes, together with many representatives of structural and regulatory factors.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com