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 ...

The "Digital Twin" concept, a virtual, high-fidelity representation of a physical system, is transforming engineering and is now gaining significant ...

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 ...

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 ...

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 ...

The rapid advancement of high-throughput sequencing and multi-omics technologies has transformed genetics into an inherently data-intensive discipline. In ...

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, ...

The University of Chicago announced this week the formation of the first U.S.-based node of the Centre Européen de Calcul Atomique and Moléculaire (European Centre for Atomic and Molecular Computation ...

CAMBRIDGE, MA — 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 ...