Water molecules are emerging as pivotal players in drug design and the molecular dynamics of protein–ligand complexes. Their unique properties not only mediate solvation effects and contribute to the ...

About one-third of all drugs approved by the Food and Drug Administration target the largest family of cell membrane ...

A researcher has proposed a more targeted approach to AI drug discovery, which includes a rigorous evaluation protocol.

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 predicting ...

A research team has presented a overview of protein-based materials, highlighting their structural diversity, wide-ranging applications, and the transformative potential of molecular design and AI.

The drug development pipeline is a costly and lengthy process. Identifying high-quality "hit" compounds—those with high ...

SwRI’s new GAMES model turns molecular text into smarter drug candidates, offering a faster and more accurate path to breakthrough therapies. SwRI developed a large language model called Generative ...

The modulation of RNA splicing by small molecules has emerged as a promising strategy for treating pathogenic infections, human genetic diseases, and cancer; however, the principles by which splicing ...

Discover how Optibrium is transforming early-stage drug discovery through AI-powered software, generative chemistry, and 3D modelling. In this interview, Matt Segall, CEO at Optibrium, shares insights ...

TOKYO--(BUSINESS WIRE)--Elix, Inc. (CEO: Shinya Yuki / Headquarters: Tokyo; hereinafter “Elix”) is pleased to announce that its AI drug discovery platform, Elix ...

The drug development pipeline is a costly and lengthy process. Identifying high-quality "hit" compounds—those with high potency, selectivity, and ...