A new computational method now makes it possible to calculate the forces between large molecules with unprecedented accuracy.

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 ...

Because ketones are widespread in organic molecules, chemists are eager to develop new reactions that use them to form ...

The field of computational materials science has been profoundly transformed by integrating deep learning and other machine learning methodologies. These sophisticated data-driven approaches have ...

Critical concerns regarding the security and privacy of information transmitted within Internet of Medical Things systems have increased greatly ...

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...

Researchers at Fox Chase Cancer Center, Temple University's College of Engineering, and the Lewis Katz School of Medicine at ...

The proof-of-concept could pave the way for a new class of AI debuggers, making language models more reliable for business-critical applications.

In a remarkable development, a human mathematician has achieved what many thought impossible: solving the centuries-old ...

Recently, a research team led by Gengjie Jia at the Agricultural Genomics Institute at Shenzhen, Chinese Academy of Agricultural Sciences, in ...

From Oct. 15 to Oct. 17, researchers, democracy advocates, and students gathered at Wellesley College for the “Social Choice: ...