When machine learning is used to suggest new potential scientific insights or directions, algorithms sometimes offer ...

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 ...

The study shows a critical gap in modern urban informatics. Synthetic data and digital twin models, the authors note, have ...

State-of-the-art AI programs can support the development of drugs by predicting how proteins interact with small molecules.

As Broadway Malyan’s chief operating officer, Sabrina Klor was less concerned with design and more with joining the dots ...

Organizations have been investing heavily in data, analytics and AI for decades. The promise is clear and ambitious: Better ...

This important study presents a thoughtful design and characterization of chimeric influenza hemagglutinin (HA) head domains combining elements of distinct receptor-binding sites. The results provide ...

The open-source model designs therapeutics across "any" modality with experimental validation for diverse real-world challenging targets.

Proteins play a key role not only in the body, but also in medicine: they either serve as active ingredients, such as enzymes ...

Shilpi Yadav is a data science expert who uses data empathy and disciplined design to create robust, scalable frameworks that ...

When machine learning is used to suggest new potential scientific insights or directions, algorithms sometimes offer solutions that are not physically ...