Gerald Platzer (@geraldplatzer.bsky.social)

NMR-driven structure-based drug discovery by unveiling molecular interactions Communications Chemistry, Published online: 31 May 2025; doi:10.1038/s42004-025-01542-xHigh-resolution 3D structural data are essential for drug discovery, yet X-ray crystallography has limitations in guiding medicinal chemistry. Here, the authors discuss the use of solution-state NMR spectroscopy with selective side-chain labeling and advanced computational workflows to produce accurate protein-ligand ensembles, enhancing structural insights for medicinal chemists and enabling high-throughput applications. https://bit.ly/3Hg3EEb