Artificial intelligence takes structural biology to the next level

A scientist at Karolinska Institutet reports that machine learning can be used to gain insights into molecular events that change the shape of proteins after they are made, regulating their ability to interact with each other. ...

Improving weather simulations through increased generality

Modern weather forecasts and climate studies rely heavily on computer simulations implementing physical models. These models need to make cohesive large-scale predictions but also include enough small-scale detail to be relevant ...

Computer vision helps find binding sites in drug targets

Scientists from the iMolecule group at Skoltech Center for Computational and Data-Intensive Science and Engineering (CDISE) developed BiteNet, a machine learning (ML) algorithm that helps find drug binding sites, i.e. potential ...

Finding alternatives to diamonds for drilling

Diamonds aren't just a girl's best friend—they're also crucial components for hard-wearing industrial components, such as the drill bits used to access oil and gas deposits underground. But a cost-efficient method to find ...

Ushering in ultrafast cluster electronics

Hokkaido University researchers have developed a computational method that can predict how clusters of molecules behave and interact over time, providing critical insight for future electronics. Their findings, published ...

Virtual models provide real knowledge in the grass family

The structures of flowers and other plant parts represent a rich and complex source of botanical information with great potential to answer a variety of taxonomic, evolutionary, and ecological questions. As computational ...

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