drug-design

Nature Communications, Published online: 25 May 2026; doi:10.1038/s41467-026-73412-6 This study presents cryo-EM structures of the kinin receptors B1R and B2R bound to antagonists, revealing key residues that determine subtype selectivity and a shared mechanism that blocks receptor activation, thereby guiding future drug design.

Scientific Reports, Published online: 20 May 2026; doi:10.1038/s41598-026-53512-5 Comparative molecular dynamics mapping of metallocarboxypeptidase-peptide interfaces reveals potential hotspots that inspire novel inhibitor design

Isomorphic Labs, an AI-first drug design and development company, announced it has raised $2.1 Billion in Series B funding. This latest round of investment will accelerate the companyʼs evolution from pioneering novel AI models to applying them at scale. The financing round is led by Thrive Capital,...

The closest-ever detailed look at a key enzyme inside the virus that causes COVID-19 could lead to more effective treatment of the disease.

Nature Communications, Published online: 28 April 2026; doi:10.1038/s41467-026-72384-x The study introduces FMOPhore, a computational tool that identifies key binding site residues to improve drug design by guiding efficient fragment growth and lead optimization across diverse protein targets.

The University of Washington School of Pharmacy has expanded its longstanding collaboration with Johnson & Johnson* through a focused collaboration within the School’s Institute for Innovations in Drug Disposition and Delivery (I2D3). The initiative reflects... The post UW School of Pharmacy Expands Strategic Collaboration with Johnson & Johnson to Advance AI-Enabled Drug Design appeared first on…

This Collection highlights original research that explores algorithmic innovations, integration with quantum chemical simulations and experimental workflows, and applications to drug design, catalysis, energy storage, and advanced materials.

Raquel López-Ríos de Castro combines her passion for physics with her interest in medicine. She developes machine learning drug design. Der Beitrag Women in Research #LINO24: Raquel López-Ríos de Castro erschien zuerst auf Lindau Nobel Laureate Meetings .

Drug screening is the initial link and key to drug development. In the past, traditional drug screening methods such as animal models were often costly and time-consuming. With the development […]

This review from the MedChemComm New Talent themed issue covers one of the first successful examples of structure-based drug design for stabilised G protein-coupled receptors (GPCRs), focusing on the development of a pre-clinical candidate for the treatment of Parkinson’s disease using StaR® technology. Stabilised G protein-coupled receptors in structure-based drug design: a case study with [&#82…