Researchers at the Department of Energy’s SLAC National Accelerator Laboratory have built a generative AI model that reconstructs the three-dimensional geometry of molecules from the scattered ion ...

Leveraging AI and quantum calculations, scientists developed a new tool that yielded higher-quality structural information and solved notoriously elusive proteins.

Called a landmark discovery, scientists create a molecule with an unprecedented electronic pattern that revolutionizes ...

Whether a smartphone battery lasts longer or a new drug can be developed to treat incurable diseases depends on how stably the atoms constituting the material are bonded. The core of molecular design ...

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 ...

Boltz-2 is an open-source biomolecular model achieving near-FEP accuracy with 1000x faster predictions for structure and binding affinity. MIT and Recursion have released Boltz-2, the first ...

In what ways does chromatographic co-elution affect MS2 spectral quality, molecular networking, and the accuracy of ML models trained on MS2 data?