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The genetically engineered mice, however, are so sensitive to TNT that encountering the molecule is likely to change their behavior involuntarily, so they would need little to no training.
A primary goal will be the creation of computer software that helps designers assess whether a molecule is likely to cause toxicity, the specific factors that create that risk, and the modifications that would reduce potential toxic outcomes.
To identify the carotenoid cleavage product that regulates pre-branch site formation, we tested a series of inhibitors that suggest the active molecule is likely a beta-carotenoid cleavage product.
However, we can conclude from the results of the model calculations that the simple model that assumed a spherical or an ellipsoidal shape of the cavity for the solute molecule is likely satisfactory for comparatively tiny and strong molecules.
The common computational approach to 3D structure prediction is based on searching through the conformational space of the molecule in order to find low energy regions, i.e. conformers, which the molecule is likely to populate.
This categorisation of chemical space is orthogonal to the sorts of machine-learning based classification traditionally used in cheminformatics analyses that concentrate on whether a molecule is likely to bind to a particular site in a protein or to display a particular activity based on a heuristic analysis of large amounts of data.
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First off, you have to realize that what you call an organic molecule and what a scientist calls an organic molecule are likely very different things.
Structural analysis reveals that this cysteine is located near the interior of the protein [ 37] and attachment of the PEG molecule was likely disrupting the protein fold.
Molecular docking of drug-like molecules is likely to be valuable in this field; however, the great number of such molecules makes the potential size of this task enormous.
In practice, any biological reaction involving fewer than 100 molecules is likely to require stochastic methods to describe its behavior.
This new phenomenon of partially stretched DNA molecules is likely to be useful for the future designing of fluidic devices, and for the manipulation and study of single DNA molecules.
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