Scientists at EPFL and AstraZeneca have developed a method to map the atomic-level structure of amorphous drugs, demonstrated on a GLP-1 receptor agonist candidate for diabetes and obesity treatment.

At left, an experimental 3D atomic model of a metallic glass nanoparticle, 8 nanometers in diameter. Right, the 3D atomic packing of a representative ordered supercluster in the metallic glass ...

The whole structure was immersed in water, as many 3D biomolecular systems of interest occur in liquid environments. Fukuma and colleagues then performed 3D-AFM experiments in two different modes.

Atomic AI is doing both simultaneously. A rotating 3D model of an RNA strand structure predicted by PARSE. The core of Atomic’s IP is, though this is something of a simplification, an AlphaFold ...

This is because the spectroscopic methods, which have offered insight into the nature of the Co-Mo-S structures, are unable to explicitly map the true space atomic structure. Using Surface Science ...

While prior all-atom structure foundation models merely predict atomic coordinates ... and shape cellular behavior — in 3D. Alongside a robust and mechanistically differentiated internal ...

Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of ...