Articles with "automated structure" as a keyword



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Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability

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Published in 2018 at "Molecular Cell"

DOI: 10.1016/j.molcel.2018.03.035

Abstract: (Molecular Cell 63, 337–346; July 21, 2016) As a result of an author oversight in the originally published version of this article, the Rosetta script file design.xml provided in Data S1 was missing the res_type_constraint… read more here.

Keywords: structure sequence; sequence based; automated structure; xml ... See more keywords
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A KNIME Workflow for Automated Structure Verification

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Published in 2020 at "SLAS Discovery"

DOI: 10.1177/2472555220907091

Abstract: Adequate characterization of chemical entities made for biological screening in the drug discovery context is critical. Incorrectly characterized structures lead to mistakes in the interpretation of structure–activity relationships and confuse an already multidimensional optimization problem.… read more here.

Keywords: workflow automated; structure; structure verification; knime workflow ... See more keywords