More information: Daniil A. Boiko et al, Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs, Nature Machine Intelligence (2025). DOI: 10.1038 ...

The molecular structure of the MmpL4 efflux pump in Mycobacterium tuberculosis reveals a coiled-coil domain essential for exporting the siderophore mycobactin and for bedaquiline resistance.

DeepMind says its AlphaFold tool has successfully predicted the structure of nearly all proteins known to science. The AI lab is offering its database of over 200 million proteins to anyone for free.

There’s an age-old adage in biology: structure determines function. To understand the function of the myriad proteins that perform vital jobs in a healthy body—or malfunction in a diseased one ...

A newly identified centromeric structure, the CENP-A–H4 octasome, may reveal how chromosomes segregate properly during cell division, report researchers from Japan. Using cryo-electron ...

Unveiling the molecular mechanisms linking aging with neurodegenerative diseases. ScienceDaily . Retrieved June 2, 2025 from www.sciencedaily.com / releases / 2024 / 09 / 240903144825.htm ...

A new molecular machine learning representation that incorporates quantum-chemical interactions, specifically stereoelectronic effects and orbital information, improves prediction accuracy and ...