Virtual screening methods fall broadly into two categories: ligand- and structure-based. Ligand-based virtual screening doesn’t require a target protein structure, Instead, it leverages known active ...
A computational method accurately predicts the optimal ligand for a photochemical palladium catalyst, enabling new radical reactions of alkyl ketones. Ketones are common components in many organic ...
An AI tool trained on chemical signatures from corpse-eating insects may help determine time and place of death for victims of violent crimes.
That problem is why, even though we’ve had success finding enzymes that break down common plastics like polyesters and PET, they’re only partial solutions to plastic waste. However, researchers aren’t ...
Free radicals generated at a specific site in non-neuronal brain cells called astrocytes may promote dementia, according to a ...
A new compound called CMX410 may change the fight against tuberculosis. It targets a weak point in the bacteria’s defenses, ...
This important and compelling study establishes a robust computational and experimental framework for the large-scale identification of metallophore biosynthetic clusters. The work advances beyond ...
A team of researchers has explored how two-dimensional materials known as MXenes could revolutionize renewable energy and sustainable chemical production. Scientists searching for cleaner and more sus ...
Researchers from the University at Albany and NYU Grossman School of Medicine have found a way to block a key cellular ...
One of the most famous examples is the AlphaFold protein structure determination algorithm, which won the Nobel Prize.
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