There is more than one way to describe a water molecule, especially when communicating with a machine learning (ML) model, says chemist Robert DiStasio. You can feed the algorithm the molecule's ...

Researchers at Rice University have made a meaningful advance in the simulation of molecular electron transfer—a fundamental process underpinning countless physical, chemical and biological processes.

Organic light-emitting diodes (OLEDs) have become a cornerstone in display and lighting technologies, driving the demand for efficient organic thermally activated delayed fluorescence (TADF) materials ...

Genesis’ proprietary foundation model – Pearl – outperforms frontier models, including AlphaFold 3, on key benchmarks that predict utility in real-world drug discovery Pearl’s performance improved ...

REHOVOT, Israel, Oct. 31, 2024 /PRNewswire/ -- Evogene Ltd. (NASDAQ: EVGN) (TASE: EVGN), a leading computational biology company aiming to revolutionize life-science-based product discovery and ...

They build our bodies and orchestrate the molecular processes in cells that keep them healthy. They also present a wealth of targets for new medications. From everyday pain relievers to sophisticated ...

The way the body ages could be more resilient than previously thought, a new study suggests. Published in the Journal of the American Chemical Society, the work by researchers at King’s College London ...

The model also predicts the binding mechanism (non-covalent interactions) between the drug and the target protein. The core innovation of this technology lies in its "simultaneous design" approach.

A team of scientists from the University of Miami, in collaboration with two professors from Georgia Institute of Technology and University of Rochester, have developed a new kind of molecule that ...

Electron transfer, critical to processes such as cellular respiration and energy harvesting in plants, has long posed challenges to scientists due to the complex quantum interactions involved. Current ...