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

In their study, published in Genes to Cells on March 24, 2025, the researchers elucidated the structure of a novel nucleosome-like particle, which is potentially localized to centromeric regions.

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.

A team of researchers at the University of California, Davis, made small tweaks to the molecular structure of lysergic acid diethylamide (LSD) to see if it could be turned into an effective brain ...

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 ...

Structure of an entire DT57C bacteriophage. The entire virus was reconstructed in three dimensions at near-atomic resolution and visualized in this animation. The word “virus” is often ...

In a recent study, researchers leveraged molecular jackhammering on cells induced by single-photon NIR light. They found that turning on the vibronic mode of aminocyanines connected to the cell ...

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 ...

Rosalind Franklin was a chemist and X-ray crystallographer whose data contributed to the discovery of DNA’s molecular structure. That data wasn’t stolen from her, newly uncovered evidence ...

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.

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