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Library compounds were assembled at the Small Molecule Discovery Center from commercial sources.
These compounds were assembled with a modular build/couple/pair synthetic strategy using different olefin-containing carboxylic acid and amino alcohol building blocks.
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The title compounds are assembled from six sugar amino acid dipeptide isosteres and are synthesized using solution-phase peptide synthesis protocols.
A focused screening library of ~2000 compounds was assembled from an in-house collection of previously synthesized kinase inhibitors utilizing a single concentration screening approach in a Nek2 biochemical kinase assay.
A library of metabolites and structurally related compounds was assembled as described in the "Approach to the prediction of metabolic function associated with a TR" section and used to investigate the effector binding specificity of GST-B3018.
Compound sets were assembled by applying different data confidence criteria and selecting compounds with activity histories over many years.
Linear HER-GLP-1, branched HER-GLP-2 and non-lipidated HER-GP were assembled from compound 1 using convergent ligation chemistry based on oxime and disulfide bond formation described earlier (Fig. 1A) [21] [24], [24].
Subsets of compounds reported to be active since 1994 were assembled.
In a third step, 45 physico-chemical properties were assembled for the training set compounds.
Based on the selection criteria detailed above, two sets of compounds with high- and low-confidence activity data were assembled.
Binding reactions were assembled by combining kinases, liganded affinity beads and test compounds in 1x binding buffer (20% SeaBlock, 0.17x PBS, 0.05% Tween-20 and 6 mM DTT).
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