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We used a structure guided site-specific random approach, to change the cofactor preference towards NADH and to deduce more general rules for redesigning the cofactor specificity.
We used a structure- and property-based drug design approach to identify 2-aminooxazoline 3-azaxanthenes as potent BACE1 inhibitors which significantly reduced CSF and brain Aβ levels in a rat pharmacodynamic model.
Because factory owners used a structure developed for a mall to house a factory with hundreds of machines weighing much more than the structure could handle.
Here, we used a structure of its ligand-binding domain (LBD) in complex with the agonist dexamethasone (Bledsoe et al., 2002).
Tervo et al. used a structure as docking receptor that had undergone a molecular dynamics (MD) simulation, resulting in major deviations from the experimental structure, which might not well represent the major conformations of the protein.
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We used a structure-based drug design to develop highly potent compounds that block this interaction.
To study the relation between phenotype and rhodopsin stability in disease mutants, we used a structure-based approach.
We first used a structure-based approach to develop 18 novel chrysin analogues that target FabH for the development of new antibiotics.
Here we used a structure-based approach to develop a new Gi-coupled DREADD using the kappa-opioid receptor as a template (KORD) that is activated by the pharmacologically inert ligand salvinorin B (SALB).
In the quest for novel PPARα/γ co-agonists as putative drugs for the treatment of type 2 diabetes and dyslipidemia, we have used a structure-based design approach to identify propionic acids with a 1,5-disubstituted indole scaffold as potent PPARα/γ activators.
In this work we used a structure-based approach and the protein design algorithm FoldX to analyze these mutations and to calculate changes in stability of CYP21A2 protein.
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CEO of Professional Science Editing for Scientists @ prosciediting.com