Scientists at St. Jude Children's Research Hospital have created a database that provides updated predicted structures on a ...

RNA plays a vital role in how our genes are expressed and how diseases develop. Yet, because RNA molecules constantly change ...

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 prediction of protein structure with the use of artificial intelligence and machine learning (AI–ML) is poised to transform how and when three-dimensional (3D) biostructure information is used in ...

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials science. However, conventional methods are computationally intensive and ...