Researchers have discovered a new way to drive chemical reactions that could generate a wide variety of azetidines -- four-membered nitrogen heterocycles that have desirable pharmaceutical properties.

The National Academies will convene a committee to organize a workshop on navigating the benefits and biosecurity risks of communicating studies involving the use of computational modeling and ...

Theory, computation, and simulation are foundational to modern energy research. Theoretical understanding reveals why materials and systems behave as they do, predicting performance before experiments ...

A Florida State University computational scientist is paving the way for future medical breakthroughs by developing ...

When chemists design new chemical reactions, one useful piece of information involves the reaction's transition state—the point of no return from which a reaction must proceed. This information allows ...

This work reviews CM-cfDNA methods applied to clinical oncology, emphasizing both machine learning (ML) techniques and mechanistic approaches. The latter integrate biological principles, enabling a ...

Disturbances to the gut microbiome contribute to health conditions like inflammatory bowel disease (IBD). To better understand how those microbes interact with each other and their environment, ...

Biomedical Artificial Intelligence and Computational Modeling are new emerging areas in biomedical engineering. These areas cover: Data analysis and interpretation: developing and applying algorithms ...

Researchers from MIT and the University of Michigan have discovered a new way to drive chemical reactions that could generate a wide variety of compounds with desirable pharmaceutical properties.