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Combining the structural and biochemical data, we constructed a Dpy30-Ash2L comodel model using the structures of the holo-Dpy30FL tetramer presented here and the SPRY dimer reported previously (3TOJ).
It is based on a previously derived implicit membrane representation, which was parameterized using the structures of 46 α-helical membrane proteins.
Until now, structural analysis of the mode of binding of chemotherapeutic compounds to QR1 was based on model building using the structures of complexes with simple substrates; no structure of complexes of QR1 with chemotherapeutic prodrugs had been reported.
We are taking two distinct approaches for these screens: in vitro enzyme activity screens using chemical libraries and virtual computational screens using the structures of the target enzymes as filters for identifying potential inhibitors, followed by in vitro testing of their ability to inhibit their intended targets.
Ligand-based search was performed using the structures of cocrystallized GSK-3 inhibitors available in PDB as a template.
A Topomer search [2] of public-source databases using the structures of a set of 255 marketed drugs [3] as queries yielded sets of shape- and pharmacophore similar hits.
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All the schools that Gabriel attended, Hirsch condensed into a section written using the structure of a blues lyric.
The structures were solved by the molecular replacement method with the Phaser program using the structure of the human H3.3 nucleosome (PDB ID: 3AV2) as the search model64,67.
The PBP2 structure was solved by molecular replacement using the structure of PBP3 from P. aeruginosa 15 as a model and employing BALBES35.
The remainder would be held to supply a universal second pension, using the structure of the NPSS but ensuring that it covered every employee not already a member of an occupational scheme.
Using the structure of red-black tree to store the pLMT, we deduce the search time.
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