Scientists have twisted DNA into programmable nanostructures that form themselves — and could reshape future materials for light, sound, and electronics.

Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, ...

The use of bevacizumab in glioblastoma has been associated with increased progression-free survival and improvement in symptoms and quality of life. There are no clinical indicators on how to choose ...

Machine learning helps improve accuracy and efficiency of small-molecule calculations Microsoft researchers used deep learning to create new DFT model by Sam Lemonick, special to C&EN June 20, 2025 ...

Using a Drude-based polarizable model, we investigate the liquid–vapor interface of hydrogen fluoride (HF) via molecular dynamics simulations. The interface displays a complex morphology with ...

Molecular structure of tuberculosis efflux pump reveals how bacteria resist key antibiotic by Jeff Hansen, University of Alabama at Birmingham edited by Sadie Harley, reviewed by Robert Egan ...

The structure showed 12 transmembrane helices in two pseudo-symmetric bundles and two periplasmic subdomains. Experiments showed that the coiled-coil domain, whose predicted model extends from one of ...

Cyanocoronene is now the largest individual PAH molecule confirmed in interstellar space, containing 24 carbon atoms in its core structure (excluding the cyano group).

Notably, the distinctive electronic structure of SWs generates a pair of absorption signals with opposite Cotton effects, which can be captured by CD spectroscopy in a chiral molecular environment.

MIT and Recursion have released Boltz-2, the first biomolecular co-folding model that simultaneously predicts molecular structure and binding affinity with remarkable accuracy, approaching that of ...

High-resolution cryoEM structures of the intron in different liganded states not only reveal molecular interactions that rationalize experimental structure–activity relationship but also shed light on ...