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, ...

In a collaborative effort, researchers at the University of Amsterdam and the HFML-FELIX institute in Nijmegen have been able to provide detailed insights in the molecular structure of a thiourea ...

Molecular structure of tuberculosis efflux pump reveals how bacteria resist key antibiotic by Jeff Hansen, University of Alabama at Birmingham ...

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 ...

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 ...

How does digestion affect molecular analysis of owl pellets? Researchers examine popular method of studying elusive animals Date: May 28, 2025 Source: University of Cincinnati Summary: Researchers ...

Food contains more than 139,000 molecules, which influence nearly half the human proteome. Systematic analysis of food–chemical interactions can potentially advance nutrition science and drug ...

DuPont de Nemours Inc. is considering a sale of two heat-resistant fiber brands as the chemical manufacturer undergoes a broader overhaul, people with knowledge of the matter said.

A thermodynamic approach is proposed to model and simulate nanostructured porous carbon using all-atom molecular dynamics simulations. In this work, molecular dynamics models with a size of 800000 ...

Structurally, Kevlar® EXO™ differs from the original Kevlar®. While the original fiber is a para-aramid material composed of two monomers, Kevlar® EXO™ is a copolymer with an additional monomer. This ...